1-N-dodecylhexane-1,2,6-triamine

C18H41N3 — CID 10637910

IUPAC1-N-dodecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-17-18(20)14-11-12-15-19/h18,21H,2-17,19-20H2,1H3
InChIKeyIPMUJTQGCGQSBU-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.95
Rot. Bonds17

About 1-N-dodecylhexane-1,2,6-triamine

1-N-dodecylhexane-1,2,6-triamine (PubChem CID 10637910) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is 1-N-dodecylhexane-1,2,6-triamine.

Molecular Properties

Compound Name1-N-dodecylhexane-1,2,6-triamine
PubChem CID10637910
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC Name1-N-dodecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-17-18(20)14-11-12-15-19/h18,21H,2-17,19-20H2,1H3
InChIKeyIPMUJTQGCGQSBU-UHFFFAOYSA-N
XLogP3.95
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 1-N-dodecylhexane-1,2,6-triamine?
The IUPAC name of 1-N-dodecylhexane-1,2,6-triamine (CID 10637910) is 1-N-dodecylhexane-1,2,6-triamine.
What is the SMILES notation for 1-N-dodecylhexane-1,2,6-triamine?
The canonical SMILES for 1-N-dodecylhexane-1,2,6-triamine is CCCCCCCCCCCCNCC(N)CCCCN.
What is the InChIKey of 1-N-dodecylhexane-1,2,6-triamine?
The InChIKey is IPMUJTQGCGQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-17-18(20)14-11-12-15-19/h18,21H,2-17,19-20H2,1H3.
What are the key properties of 1-N-dodecylhexane-1,2,6-triamine?
1-N-dodecylhexane-1,2,6-triamine has a molecular weight of 299.55 g/mol, XLogP of 3.95, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dodecylhexane-1,2,6-triamine is sourced from PubChem (CID 10637910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).