7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine
C102H164N40O6 — CID 158974077
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine
SMILESCC1CN=C(N(C)C)NC(N(C)CCc2ccco2)=N1.CC1CN=C(N)C/C(=N\CCc2ccc[nH]2)N1.CC1CN=C(N)CC(N(C)CCc2ccc[nH]2)=N1.CC1CN=C(N)N/C(=N/CCc2ccco2)N1.CC1CN=C(N)NC(N(C)CCc2ccco2)=N1.CC1N=C(N(C)C)NC(N(C)CCc2ccco2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccco2)NC1C.CC1N=C(N)NC(N(C)CCc2ccco2)=NC1C
InChIInChI=1S/C15H25N5O.C14H23N5O.C13H21N5O.C13H21N5.2C12H19N5O.C12H19N5.C11H17N5O/c1-11-12(2)17-15(18-14(16-11)19(3)4)20(5)9-8-13-7-6-10-21-13;1-11-10-15-13(18(2)3)17-14(16-11)19(4)8-7-12-6-5-9-20-12;1-9-10(2)16-13(17-12(14)15-9)18(3)7-6-11-5-4-8-19-11;1-10-9-16-12(14)8-13(17-10)18(2)7-5-11-4-3-6-15-11;1-9-8-14-11(13)16-12(15-9)17(2)6-5-10-4-3-7-18-10;1-8-9(2)16-12(17-11(13)15-8)14-6-5-10-4-3-7-18-10;1-9-8-16-11(13)7-12(17-9)15-6-4-10-3-2-5-14-10;1-8-7-14-10(12)16-11(15-8)13-5-4-9-3-2-6-17-9/h6-7,10-12H,8-9H2,1-5H3,(H,16,17,18);5-6,9,11H,7-8,10H2,1-4H3,(H,15,16,17);4-5,8-10H,6-7H2,1-3H3,(H3,14,15,16,17);3-4,6,10,15H,5,7-9H2,1-2H3,(H2,14,16);3-4,7,9H,5-6,8H2,1-2H3,(H3,13,14,15,16);3-4,7-9H,5-6H2,1-2H3,(H4,13,14,15,16,17);2-3,5,9,14H,4,6-8H2,1H3,(H2,13,16)(H,15,17);2-3,6,8H,4-5,7H2,1H3,(H4,12,13,14,15,16)
InChIKeyJODXHJHIXCHNGF-UHFFFAOYSA-N
MW2046.71 g/mol
LogP5.92
Rot. Bonds24
About 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine
7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine (PubChem CID 158974077) has the molecular formula C102H164N40O6 and a molecular weight of 2046.71 g/mol. Its IUPAC name is 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine.
Molecular Properties
| Compound Name | 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine |
|---|---|
| PubChem CID | 158974077 |
| Molecular Formula | C102H164N40O6 |
| Molecular Weight | 2046.71 g/mol |
| Exact Mass | 2045.38 |
| IUPAC Name | 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine |
| SMILES | CC1CN=C(N(C)C)NC(N(C)CCc2ccco2)=N1.CC1CN=C(N)C/C(=N\CCc2ccc[nH]2)N1.CC1CN=C(N)CC(N(C)CCc2ccc[nH]2)=N1.CC1CN=C(N)N/C(=N/CCc2ccco2)N1.CC1CN=C(N)NC(N(C)CCc2ccco2)=N1.CC1N=C(N(C)C)NC(N(C)CCc2ccco2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccco2)NC1C.CC1N=C(N)NC(N(C)CCc2ccco2)=NC1C |
| InChI | InChI=1S/C15H25N5O.C14H23N5O.C13H21N5O.C13H21N5.2C12H19N5O.C12H19N5.C11H17N5O/c1-11-12(2)17-15(18-14(16-11)19(3)4)20(5)9-8-13-7-6-10-21-13;1-11-10-15-13(18(2)3)17-14(16-11)19(4)8-7-12-6-5-9-20-12;1-9-10(2)16-13(17-12(14)15-9)18(3)7-6-11-5-4-8-19-11;1-10-9-16-12(14)8-13(17-10)18(2)7-5-11-4-3-6-15-11;1-9-8-14-11(13)16-12(15-9)17(2)6-5-10-4-3-7-18-10;1-8-9(2)16-12(17-11(13)15-8)14-6-5-10-4-3-7-18-10;1-9-8-16-11(13)7-12(17-9)15-6-4-10-3-2-5-14-10;1-8-7-14-10(12)16-11(15-8)13-5-4-9-3-2-6-17-9/h6-7,10-12H,8-9H2,1-5H3,(H,16,17,18);5-6,9,11H,7-8,10H2,1-4H3,(H,15,16,17);4-5,8-10H,6-7H2,1-3H3,(H3,14,15,16,17);3-4,6,10,15H,5,7-9H2,1-2H3,(H2,14,16);3-4,7,9H,5-6,8H2,1-2H3,(H3,13,14,15,16);3-4,7-9H,5-6H2,1-2H3,(H4,13,14,15,16,17);2-3,5,9,14H,4,6-8H2,1H3,(H2,13,16)(H,15,17);2-3,6,8H,4-5,7H2,1H3,(H4,12,13,14,15,16) |
| InChIKey | JODXHJHIXCHNGF-UHFFFAOYSA-N |
| XLogP | 5.92 |
| TPSA | 595.25 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 148 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2046.71 |
| LogP ≤ 5 | 5.92 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 39 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine?
The IUPAC name of 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine (CID 158974077) is 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine.
What is the SMILES notation for 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine?
The canonical SMILES for 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine is CC1CN=C(N(C)C)NC(N(C)CCc2ccco2)=N1.CC1CN=C(N)C/C(=N\CCc2ccc[nH]2)N1.CC1CN=C(N)CC(N(C)CCc2ccc[nH]2)=N1.CC1CN=C(N)N/C(=N/CCc2ccco2)N1.CC1CN=C(N)NC(N(C)CCc2ccco2)=N1.CC1N=C(N(C)C)NC(N(C)CCc2ccco2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccco2)NC1C.CC1N=C(N)NC(N(C)CCc2ccco2)=NC1C.
What is the InChIKey of 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine?
The InChIKey is JODXHJHIXCHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.C14H23N5O.C13H21N5O.C13H21N5.2C12H19N5O.C12H19N5.C11H17N5O/c1-11-12(2)17-15(18-14(16-11)19(3)4)20(5)9-8-13-7-6-10-21-13;1-11-10-15-13(18(2)3)17-14(16-11)19(4)8-7-12-6-5-9-20-12;1-9-10(2)16-13(17-12(14)15-9)18(3)7-6-11-5-4-8-19-11;1-10-9-16-12(14)8-13(17-10)18(2)7-5-11-4-3-6-15-11;1-9-8-14-11(13)16-12(15-9)17(2)6-5-10-4-3-7-18-10;1-8-9(2)16-12(17-11(13)15-8)14-6-5-10-4-3-7-18-10;1-9-8-16-11(13)7-12(17-9)15-6-4-10-3-2-5-14-10;1-8-7-14-10(12)16-11(15-8)13-5-4-9-3-2-6-17-9/h6-7,10-12H,8-9H2,1-5H3,(H,16,17,18);5-6,9,11H,7-8,10H2,1-4H3,(H,15,16,17);4-5,8-10H,6-7H2,1-3H3,(H3,14,15,16,17);3-4,6,10,15H,5,7-9H2,1-2H3,(H2,14,16);3-4,7,9H,5-6,8H2,1-2H3,(H3,13,14,15,16);3-4,7-9H,5-6H2,1-2H3,(H4,13,14,15,16,17);2-3,5,9,14H,4,6-8H2,1H3,(H2,13,16)(H,15,17);2-3,6,8H,4-5,7H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine?
7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine has a molecular weight of 2046.71 g/mol, XLogP of 5.92, 24 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6-dimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-[2-(furan-2-yl)ethylimino]-6,7-dimethyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;2-[2-(furan-2-yl)ethylimino]-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6,7-pentamethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-N,6-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N-[2-(furan-2-yl)ethyl]-4-N,6,7-trimethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;2-methyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine is sourced from PubChem (CID 158974077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158974077 — identifiers, structure, computed properties (public domain)
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