(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine

C20H44N4 — CID 24792590

IUPAC(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine
SMILESCC[C@H](C)[C@@H](CN[C@H](CCCCNC)CNC)NCC1CCCC1
InChIInChI=1S/C20H44N4/c1-5-17(2)20(24-14-18-10-6-7-11-18)16-23-19(15-22-4)12-8-9-13-21-3/h17-24H,5-16H2,1-4H3/t17-,19+,20+/m0/s1
InChIKeyZVZDJNHUPNVDIO-DFQSSKMNSA-N
MW340.60 g/mol
LogP2.75
Rot. Bonds15

About (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine

(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine (PubChem CID 24792590) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine.

Molecular Properties

Compound Name(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine
PubChem CID24792590
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine
SMILESCC[C@H](C)[C@@H](CN[C@H](CCCCNC)CNC)NCC1CCCC1
InChIInChI=1S/C20H44N4/c1-5-17(2)20(24-14-18-10-6-7-11-18)16-23-19(15-22-4)12-8-9-13-21-3/h17-24H,5-16H2,1-4H3/t17-,19+,20+/m0/s1
InChIKeyZVZDJNHUPNVDIO-DFQSSKMNSA-N
XLogP2.75
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine?
The IUPAC name of (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine (CID 24792590) is (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine.
What is the SMILES notation for (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine?
The canonical SMILES for (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine is CC[C@H](C)[C@@H](CN[C@H](CCCCNC)CNC)NCC1CCCC1.
What is the InChIKey of (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine?
The InChIKey is ZVZDJNHUPNVDIO-DFQSSKMNSA-N. The full InChI is InChI=1S/C20H44N4/c1-5-17(2)20(24-14-18-10-6-7-11-18)16-23-19(15-22-4)12-8-9-13-21-3/h17-24H,5-16H2,1-4H3/t17-,19+,20+/m0/s1.
What are the key properties of (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine?
(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine has a molecular weight of 340.60 g/mol, XLogP of 2.75, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine is sourced from PubChem (CID 24792590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).