1-N-dodecylbutane-1,2,4-triamine

C16H37N3 — CID 10588206

IUPAC1-N-dodecylbutane-1,2,4-triamine
SMILESCCCCCCCCCCCCNCC(N)CCN
InChIInChI=1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17/h16,19H,2-15,17-18H2,1H3
InChIKeyCAJDFPMKGMISQB-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.17
Rot. Bonds15

About 1-N-dodecylbutane-1,2,4-triamine

1-N-dodecylbutane-1,2,4-triamine (PubChem CID 10588206) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-N-dodecylbutane-1,2,4-triamine.

Molecular Properties

Compound Name1-N-dodecylbutane-1,2,4-triamine
PubChem CID10588206
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name1-N-dodecylbutane-1,2,4-triamine
SMILESCCCCCCCCCCCCNCC(N)CCN
InChIInChI=1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17/h16,19H,2-15,17-18H2,1H3
InChIKeyCAJDFPMKGMISQB-UHFFFAOYSA-N
XLogP3.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-dodecylbutane-1,2,4-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 1-N-dodecylbutane-1,2,4-triamine?
The IUPAC name of 1-N-dodecylbutane-1,2,4-triamine (CID 10588206) is 1-N-dodecylbutane-1,2,4-triamine.
What is the SMILES notation for 1-N-dodecylbutane-1,2,4-triamine?
The canonical SMILES for 1-N-dodecylbutane-1,2,4-triamine is CCCCCCCCCCCCNCC(N)CCN.
What is the InChIKey of 1-N-dodecylbutane-1,2,4-triamine?
The InChIKey is CAJDFPMKGMISQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-16(18)12-13-17/h16,19H,2-15,17-18H2,1H3.
What are the key properties of 1-N-dodecylbutane-1,2,4-triamine?
1-N-dodecylbutane-1,2,4-triamine has a molecular weight of 271.49 g/mol, XLogP of 3.17, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dodecylbutane-1,2,4-triamine is sourced from PubChem (CID 10588206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).