1-N-dodecylpentane-1,2,5-triamine

C17H39N3 — CID 10108024

IUPAC1-N-dodecylpentane-1,2,5-triamine
SMILESCCCCCCCCCCCCNCC(N)CCCN
InChIInChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-17(19)13-12-14-18/h17,20H,2-16,18-19H2,1H3
InChIKeyJMXMGHOAUTYHNZ-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.56
Rot. Bonds16

About 1-N-dodecylpentane-1,2,5-triamine

1-N-dodecylpentane-1,2,5-triamine (PubChem CID 10108024) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 1-N-dodecylpentane-1,2,5-triamine.

Molecular Properties

Compound Name1-N-dodecylpentane-1,2,5-triamine
PubChem CID10108024
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name1-N-dodecylpentane-1,2,5-triamine
SMILESCCCCCCCCCCCCNCC(N)CCCN
InChIInChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-17(19)13-12-14-18/h17,20H,2-16,18-19H2,1H3
InChIKeyJMXMGHOAUTYHNZ-UHFFFAOYSA-N
XLogP3.56
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-dodecylpentane-1,2,5-triamine?
The IUPAC name of 1-N-dodecylpentane-1,2,5-triamine (CID 10108024) is 1-N-dodecylpentane-1,2,5-triamine.
What is the SMILES notation for 1-N-dodecylpentane-1,2,5-triamine?
The canonical SMILES for 1-N-dodecylpentane-1,2,5-triamine is CCCCCCCCCCCCNCC(N)CCCN.
What is the InChIKey of 1-N-dodecylpentane-1,2,5-triamine?
The InChIKey is JMXMGHOAUTYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-17(19)13-12-14-18/h17,20H,2-16,18-19H2,1H3.
What are the key properties of 1-N-dodecylpentane-1,2,5-triamine?
1-N-dodecylpentane-1,2,5-triamine has a molecular weight of 285.52 g/mol, XLogP of 3.56, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dodecylpentane-1,2,5-triamine is sourced from PubChem (CID 10108024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).