6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C14H28N10 — CID 137123598

About 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 137123598) has the molecular formula C14H28N10 and a molecular weight of 336.45 g/mol. Its IUPAC name is 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 137123598
• Molecular Formula: C14H28N10
• Molecular Weight: 336.45 g/mol
• Exact Mass: 336.25
• IUPAC Name: 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: CCCC/N=C1/NC(N)=NC(CCN(C)C2=NC(C)N=C(N)N2)N1
• InChI: InChI=1S/C14H28N10/c1-4-5-7-17-13-21-10(20-12(16)22-13)6-8-24(3)14-19-9(2)18-11(15)23-14/h9-10H,4-8H2,1-3H3,(H3,15,18,19,23)(H4,16,17,20,21,22)
• InChIKey: NVOPSKURWBNNKW-UHFFFAOYSA-N
• XLogP: -1.08
• TPSA: 140.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.45
LogP ≤ 5	-1.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The IUPAC name of 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 137123598) is 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

What is the SMILES notation for 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The canonical SMILES for 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CCCC/N=C1/NC(N)=NC(CCN(C)C2=NC(C)N=C(N)N2)N1.

What is the InChIKey of 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The InChIKey is NVOPSKURWBNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N10/c1-4-5-7-17-13-21-10(20-12(16)22-13)6-8-24(3)14-19-9(2)18-11(15)23-14/h9-10H,4-8H2,1-3H3,(H3,15,18,19,23)(H4,16,17,20,21,22).

What are the key properties of 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 336.45 g/mol, XLogP of -1.08, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-(4-amino-6-butylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl)ethyl]-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 137123598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).