5-(aminomethyl)oct-4-ene-1,4,8-triamine

C9H22N4 — CID 173275326

IUPAC5-(aminomethyl)oct-4-ene-1,4,8-triamine
SMILESNCCCC(N)=C(CN)CCCN
InChIInChI=1S/C9H22N4/c10-5-1-3-8(7-12)9(13)4-2-6-11/h1-7,10-13H2
InChIKeyYXKZGBMIJSXGOO-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.36
Rot. Bonds7

About 5-(aminomethyl)oct-4-ene-1,4,8-triamine

5-(aminomethyl)oct-4-ene-1,4,8-triamine (PubChem CID 173275326) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-(aminomethyl)oct-4-ene-1,4,8-triamine.

Molecular Properties

Compound Name5-(aminomethyl)oct-4-ene-1,4,8-triamine
PubChem CID173275326
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name5-(aminomethyl)oct-4-ene-1,4,8-triamine
SMILESNCCCC(N)=C(CN)CCCN
InChIInChI=1S/C9H22N4/c10-5-1-3-8(7-12)9(13)4-2-6-11/h1-7,10-13H2
InChIKeyYXKZGBMIJSXGOO-UHFFFAOYSA-N
XLogP-0.36
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)oct-4-ene-1,4,8-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 5-(aminomethyl)oct-4-ene-1,4,8-triamine?
The IUPAC name of 5-(aminomethyl)oct-4-ene-1,4,8-triamine (CID 173275326) is 5-(aminomethyl)oct-4-ene-1,4,8-triamine.
What is the SMILES notation for 5-(aminomethyl)oct-4-ene-1,4,8-triamine?
The canonical SMILES for 5-(aminomethyl)oct-4-ene-1,4,8-triamine is NCCCC(N)=C(CN)CCCN.
What is the InChIKey of 5-(aminomethyl)oct-4-ene-1,4,8-triamine?
The InChIKey is YXKZGBMIJSXGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-5-1-3-8(7-12)9(13)4-2-6-11/h1-7,10-13H2.
What are the key properties of 5-(aminomethyl)oct-4-ene-1,4,8-triamine?
5-(aminomethyl)oct-4-ene-1,4,8-triamine has a molecular weight of 186.30 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)oct-4-ene-1,4,8-triamine is sourced from PubChem (CID 173275326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).