1-N-hexadecylhexane-1,2,6-triamine

C22H49N3 — CID 10665912

IUPAC1-N-hexadecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22(24)18-15-16-19-23/h22,25H,2-21,23-24H2,1H3
InChIKeyKMADGIPBKUIAFY-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.51
Rot. Bonds21

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

1-N-hexadecylhexane-1,2,6-triamine (PubChem CID 10665912) has the molecular formula C22H49N3 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-N-hexadecylhexane-1,2,6-triamine.

Molecular Properties

Compound Name1-N-hexadecylhexane-1,2,6-triamine
PubChem CID10665912
Molecular FormulaC22H49N3
Molecular Weight355.66 g/mol
Exact Mass355.39
IUPAC Name1-N-hexadecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22(24)18-15-16-19-23/h22,25H,2-21,23-24H2,1H3
InChIKeyKMADGIPBKUIAFY-UHFFFAOYSA-N
XLogP5.51
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.51
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-hexadecylhexane-1,2,6-triamine?
The IUPAC name of 1-N-hexadecylhexane-1,2,6-triamine (CID 10665912) is 1-N-hexadecylhexane-1,2,6-triamine.
What is the SMILES notation for 1-N-hexadecylhexane-1,2,6-triamine?
The canonical SMILES for 1-N-hexadecylhexane-1,2,6-triamine is CCCCCCCCCCCCCCCCNCC(N)CCCCN.
What is the InChIKey of 1-N-hexadecylhexane-1,2,6-triamine?
The InChIKey is KMADGIPBKUIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-21-22(24)18-15-16-19-23/h22,25H,2-21,23-24H2,1H3.
What are the key properties of 1-N-hexadecylhexane-1,2,6-triamine?
1-N-hexadecylhexane-1,2,6-triamine has a molecular weight of 355.66 g/mol, XLogP of 5.51, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexadecylhexane-1,2,6-triamine is sourced from PubChem (CID 10665912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).