5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine

C13H31N3 — CID 139681919

IUPAC5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine
SMILESCCCC(NCCN)C(N)(CCC)CCC
InChIInChI=1S/C13H31N3/c1-4-7-12(16-11-10-14)13(15,8-5-2)9-6-3/h12,16H,4-11,14-15H2,1-3H3
InChIKeyIEFDIXZDOVWHNC-UHFFFAOYSA-N
MW229.41 g/mol
LogP2.00
Rot. Bonds10

About 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine

5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine (PubChem CID 139681919) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine
PubChem CID139681919
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine
SMILESCCCC(NCCN)C(N)(CCC)CCC
InChIInChI=1S/C13H31N3/c1-4-7-12(16-11-10-14)13(15,8-5-2)9-6-3/h12,16H,4-11,14-15H2,1-3H3
InChIKeyIEFDIXZDOVWHNC-UHFFFAOYSA-N
XLogP2.00
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-N-(2-aminoethyl)-4-propyloctane-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

Related Compounds

1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
6-N-(2-aminoethyl)-5-N,5-N,5-tributyldecane-5,6-diamine
CID 21469942
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
1-(2-aminoethylamino)-3-methylhexan-1-ol
CID 89007637
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
4-amino-5-propyloctan-4-ol
CID 18625026
3-propylheptane-1,3,7-triamine
CID 57060059
4-amino-5-propyloctan-4-ol;hydrochloride
CID 173241712
3-N-propylhexane-1,3-diamine
CID 88724695
1-N"-propylbutane-1,1,1-triamine
CID 91113013
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine (CID 139681919) is 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine is CCCC(NCCN)C(N)(CCC)CCC.
What is the InChIKey of 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine?
The InChIKey is IEFDIXZDOVWHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-4-7-12(16-11-10-14)13(15,8-5-2)9-6-3/h12,16H,4-11,14-15H2,1-3H3.
What are the key properties of 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine?
5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine has a molecular weight of 229.41 g/mol, XLogP of 2.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-4-propyloctane-4,5-diamine is sourced from PubChem (CID 139681919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).