2-octyldodecan-1-amine

C20H43N — CID 18761999

IUPAC2-octyldodecan-1-amine
SMILESCCCCCCCCCCC(CN)CCCCCCCC
InChIInChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3
InChIKeyVDNQHHBRKZQBPY-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.84
Rot. Bonds17

About 2-octyldodecan-1-amine

2-octyldodecan-1-amine (PubChem CID 18761999) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 2-octyldodecan-1-amine.

Molecular Properties

Compound Name2-octyldodecan-1-amine
PubChem CID18761999
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name2-octyldodecan-1-amine
SMILESCCCCCCCCCCC(CN)CCCCCCCC
InChIInChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3
InChIKeyVDNQHHBRKZQBPY-UHFFFAOYSA-N
XLogP6.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-octyldodecan-1-amine?
The IUPAC name of 2-octyldodecan-1-amine (CID 18761999) is 2-octyldodecan-1-amine.
What is the SMILES notation for 2-octyldodecan-1-amine?
The canonical SMILES for 2-octyldodecan-1-amine is CCCCCCCCCCC(CN)CCCCCCCC.
What is the InChIKey of 2-octyldodecan-1-amine?
The InChIKey is VDNQHHBRKZQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3.
What are the key properties of 2-octyldodecan-1-amine?
2-octyldodecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.84, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyldodecan-1-amine is sourced from PubChem (CID 18761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).