2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine

C113H186N40 — CID 176518175

About 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine

2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine (PubChem CID 176518175) has the molecular formula C113H186N40 and a molecular weight of 2105.01 g/mol. Its IUPAC name is 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine
• PubChem CID: 176518175
• Molecular Formula: C113H186N40
• Molecular Weight: 2105.01 g/mol
• Exact Mass: 2103.58
• IUPAC Name: 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine
• SMILES: CC1CN=C(N(C)C)NC(N(C)CCc2ccccc2)=N1.CC1CN=C(N)N/C(=N/CCc2ccccc2)N1.CC1CN=C(N)NC(N(C)CCc2ccccc2)=N1.CC1N=C(N(C)C)NC(N(C)CCc2ccccc2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccccc2)NC1C.CC1N=C(N)NC(N(C)CCc2ccccc2)=NC1C.CCCCN(C)C1=NC(C)C(C)NC(N)=N1.CCCCN(C)C1=NC(N(C)C)=NC(C)C(C)N1
• InChI: InChI=1S/C17H27N5.C16H25N5.C15H23N5.2C14H21N5.C13H19N5.C13H27N5.C11H23N5/c1-13-14(2)19-17(20-16(18-13)21(3)4)22(5)12-11-15-9-7-6-8-10-15;1-13-12-17-15(20(2)3)19-16(18-13)21(4)11-10-14-8-6-5-7-9-14;1-11-12(2)18-15(19-14(16)17-11)20(3)10-9-13-7-5-4-6-8-13;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)18-13(17-10)15-8-7-11-5-3-2-4-6-11;1-7-8-9-18(6)13-15-11(3)10(2)14-12(16-13)17(4)5;1-5-6-7-16(4)11-14-9(3)8(2)13-10(12)15-11/h6-10,13-14H,11-12H2,1-5H3,(H,18,19,20);5-9,13H,10-12H2,1-4H3,(H,17,18,19);4-8,11-12H,9-10H2,1-3H3,(H3,16,17,18,19);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);2-6,10H,7-9H2,1H3,(H4,14,15,16,17,18);10-11H,7-9H2,1-6H3,(H,14,15,16);8-9H,5-7H2,1-4H3,(H3,12,13,14,15)
• InChIKey: AGRPJQPNGOLKBW-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 477.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.01
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine?

The IUPAC name of 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine (CID 176518175) is 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine.

What is the SMILES notation for 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine?

The canonical SMILES for 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine is CC1CN=C(N(C)C)NC(N(C)CCc2ccccc2)=N1.CC1CN=C(N)N/C(=N/CCc2ccccc2)N1.CC1CN=C(N)NC(N(C)CCc2ccccc2)=N1.CC1N=C(N(C)C)NC(N(C)CCc2ccccc2)=NC1C.CC1N=C(N)N/C(=N/CCc2ccccc2)NC1C.CC1N=C(N)NC(N(C)CCc2ccccc2)=NC1C.CCCCN(C)C1=NC(C)C(C)NC(N)=N1.CCCCN(C)C1=NC(N(C)C)=NC(C)C(C)N1.

What is the InChIKey of 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine?

The InChIKey is AGRPJQPNGOLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5.C16H25N5.C15H23N5.2C14H21N5.C13H19N5.C13H27N5.C11H23N5/c1-13-14(2)19-17(20-16(18-13)21(3)4)22(5)12-11-15-9-7-6-8-10-15;1-13-12-17-15(20(2)3)19-16(18-13)21(4)11-10-14-8-6-5-7-9-14;1-11-12(2)18-15(19-14(16)17-11)20(3)10-9-13-7-5-4-6-8-13;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)18-13(17-10)15-8-7-11-5-3-2-4-6-11;1-7-8-9-18(6)13-15-11(3)10(2)14-12(16-13)17(4)5;1-5-6-7-16(4)11-14-9(3)8(2)13-10(12)15-11/h6-10,13-14H,11-12H2,1-5H3,(H,18,19,20);5-9,13H,10-12H2,1-4H3,(H,17,18,19);4-8,11-12H,9-10H2,1-3H3,(H3,16,17,18,19);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);2-6,10H,7-9H2,1H3,(H4,14,15,16,17,18);10-11H,7-9H2,1-6H3,(H,14,15,16);8-9H,5-7H2,1-4H3,(H3,12,13,14,15).

What are the key properties of 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine?

2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine has a molecular weight of 2105.01 g/mol, XLogP of 8.77, 24 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-butyl-2-N,4-N,4-N,6,7-pentamethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-diamine;4-N-butyl-4-N,6,7-trimethyl-6,7-dihydro-1H-1,3,5-triazepine-2,4-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-methyl-2-(2-phenylethylimino)-1,3,6,7-tetrahydro-1,3,5-triazepin-4-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;2-N,2-N,4-N,6-tetramethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine;4-N,6,7-trimethyl-4-N-(2-phenylethyl)-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine is sourced from PubChem (CID 176518175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).