4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine

C21H47N3 — CID 87359384

IUPAC4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine
SMILESCCCN(CCC)C(CCC)(CCC)C(C)(CCC)NCC(C)N
InChIInChI=1S/C21H47N3/c1-8-13-20(7,23-18-19(6)22)21(14-9-2,15-10-3)24(16-11-4)17-12-5/h19,23H,8-18,22H2,1-7H3
InChIKeyBNEJECLKPGKLSS-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.94
Rot. Bonds15

About 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine

4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine (PubChem CID 87359384) has the molecular formula C21H47N3 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine
PubChem CID87359384
Molecular FormulaC21H47N3
Molecular Weight341.63 g/mol
Exact Mass341.38
IUPAC Name4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine
SMILESCCCN(CCC)C(CCC)(CCC)C(C)(CCC)NCC(C)N
InChIInChI=1S/C21H47N3/c1-8-13-20(7,23-18-19(6)22)21(14-9-2,15-10-3)24(16-11-4)17-12-5/h19,23H,8-18,22H2,1-7H3
InChIKeyBNEJECLKPGKLSS-UHFFFAOYSA-N
XLogP4.94
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine 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 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine?
The IUPAC name of 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine (CID 87359384) is 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine.
What is the SMILES notation for 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine?
The canonical SMILES for 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine is CCCN(CCC)C(CCC)(CCC)C(C)(CCC)NCC(C)N.
What is the InChIKey of 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine?
The InChIKey is BNEJECLKPGKLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47N3/c1-8-13-20(7,23-18-19(6)22)21(14-9-2,15-10-3)24(16-11-4)17-12-5/h19,23H,8-18,22H2,1-7H3.
What are the key properties of 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine?
4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine has a molecular weight of 341.63 g/mol, XLogP of 4.94, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminopropyl)-4-methyl-5-N,5-N,5-tripropyloctane-4,5-diamine is sourced from PubChem (CID 87359384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).