4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine

C26H57N3 — CID 14837601

IUPAC4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
SMILESCCCCCCCNC(CCCNCCCCCC)CCCNCCCCCC
InChIInChI=1S/C26H57N3/c1-4-7-10-13-16-25-29-26(19-17-23-27-21-14-11-8-5-2)20-18-24-28-22-15-12-9-6-3/h26-29H,4-25H2,1-3H3
InChIKeyHLQORVKYYMQHMG-UHFFFAOYSA-N
MW411.76 g/mol
LogP6.82
Rot. Bonds25

About 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine

4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine (PubChem CID 14837601) has the molecular formula C26H57N3 and a molecular weight of 411.76 g/mol. Its IUPAC name is 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine.

Molecular Properties

Compound Name4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
PubChem CID14837601
Molecular FormulaC26H57N3
Molecular Weight411.76 g/mol
Exact Mass411.46
IUPAC Name4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
SMILESCCCCCCCNC(CCCNCCCCCC)CCCNCCCCCC
InChIInChI=1S/C26H57N3/c1-4-7-10-13-16-25-29-26(19-17-23-27-21-14-11-8-5-2)20-18-24-28-22-15-12-9-6-3/h26-29H,4-25H2,1-3H3
InChIKeyHLQORVKYYMQHMG-UHFFFAOYSA-N
XLogP6.82
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentyloctan-4-amine
CID 106023306
N-tridecylpentadecan-3-amine
CID 88820168
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-pentylheptan-3-amine
CID 63944300
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552

Frequently Asked Questions

What is the IUPAC name of 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine?
The IUPAC name of 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine (CID 14837601) is 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine.
What is the SMILES notation for 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine?
The canonical SMILES for 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine is CCCCCCCNC(CCCNCCCCCC)CCCNCCCCCC.
What is the InChIKey of 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine?
The InChIKey is HLQORVKYYMQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57N3/c1-4-7-10-13-16-25-29-26(19-17-23-27-21-14-11-8-5-2)20-18-24-28-22-15-12-9-6-3/h26-29H,4-25H2,1-3H3.
What are the key properties of 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine?
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine has a molecular weight of 411.76 g/mol, XLogP of 6.82, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine is sourced from PubChem (CID 14837601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).