About 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine
4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine (PubChem CID 159636599) has the molecular formula C147H234N50
and a molecular weight of 2701.84 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine (CID 159636599) is 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine is CC1CN=C(N(C)C)CC(N(C)CCc2ccc[nH]2)=N1.CC1CN=C(N(C)C)NC(N(C)CCc2ccccc2)=N1.CC1CN=C(N)CC(N(C)CCc2ccc[nH]2)=N1.CC1CN=C(N)NC(N(C)CCc2ccccc2)=N1.CC1N=C(N(C)C)CC(N(C)CCc2ccc[nH]2)=NC1C.CC1N=C(N(C)C)NC(N(C)CCc2ccccc2)=NC1C.CC1N=C(N)C/C(=N\CCc2ccc[nH]2)NC1C.CC1N=C(N)CC(N(C)CCc2ccc[nH]2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccccc2)NC1C.CC1N=C(N)NC(N(C)CCc2ccccc2)=NC1C.
What is the InChIKey of 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine?
The InChIKey is MPVCJQFDOXNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5.C16H27N5.C16H25N5.C15H25N5.C15H23N5.C14H23N5.2C14H21N5.2C13H21N5/c1-13-14(2)19-17(20-16(18-13)21(3)4)22(5)12-11-15-9-7-6-8-10-15;1-12-13(2)19-16(11-15(18-12)20(3)4)21(5)10-8-14-7-6-9-17-14;1-13-12-17-15(20(2)3)19-16(18-13)21(4)11-10-14-8-6-5-7-9-14;1-12-11-17-14(19(2)3)10-15(18-12)20(4)9-7-13-6-5-8-16-13;1-11-12(2)18-15(19-14(16)17-11)20(3)10-9-13-7-5-4-6-8-13;1-10-11(2)18-14(9-13(15)17-10)19(3)8-6-12-5-4-7-16-12;1-11-10-16-13(15)18-14(17-11)19(2)9-8-12-6-4-3-5-7-12;1-10-11(2)18-14(19-13(15)17-10)16-9-8-12-6-4-3-5-7-12;1-10-9-16-12(14)8-13(17-10)18(2)7-5-11-4-3-6-15-11;1-9-10(2)18-13(8-12(14)17-9)16-7-5-11-4-3-6-15-11/h6-10,13-14H,11-12H2,1-5H3,(H,18,19,20);6-7,9,12-13,17H,8,10-11H2,1-5H3;5-9,13H,10-12H2,1-4H3,(H,17,18,19);5-6,8,12,16H,7,9-11H2,1-4H3;4-8,11-12H,9-10H2,1-3H3,(H3,16,17,18,19);4-5,7,10-11,16H,6,8-9H2,1-3H3,(H2,15,17);3-7,11H,8-10H2,1-2H3,(H3,15,16,17,18);3-7,10-11H,8-9H2,1-2H3,(H4,15,16,17,18,19);3-4,6,10,15H,5,7-9H2,1-2H3,(H2,14,16);3-4,6,9-10,15H,5,7-8H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine?
4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine has a molecular weight of 2701.84 g/mol, XLogP of 13.36, 30 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;6,7-dimethyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine;7-N,2-dimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2,3-dimethyl-7-[2-(1H-pyrrol-2-yl)ethylimino]-1,2,3,6-tetrahydro-1,4-diazepin-5-amine;2-N,2-N,4-N,6,7-pentamethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2,3-pentamethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;5-N,5-N,7-N,2-tetramethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;7-N,2,3-trimethyl-7-N-[2-(1H-pyrrol-2-yl)ethyl]-3,6-dihydro-2H-1,4-diazepine-5,7-diamine is sourced from PubChem (CID 159636599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).