2-hexyldecan-1-amine

C16H35N — CID 15335006

IUPAC2-hexyldecan-1-amine
SMILESCCCCCCCCC(CN)CCCCCC
InChIInChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3
InChIKeyHEGUXAZWCQVLPV-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.28
Rot. Bonds13

About 2-hexyldecan-1-amine

2-hexyldecan-1-amine (PubChem CID 15335006) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-hexyldecan-1-amine.

Molecular Properties

Compound Name2-hexyldecan-1-amine
PubChem CID15335006
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2-hexyldecan-1-amine
SMILESCCCCCCCCC(CN)CCCCCC
InChIInChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3
InChIKeyHEGUXAZWCQVLPV-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.28
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-hexyldecan-1-amine?
The IUPAC name of 2-hexyldecan-1-amine (CID 15335006) is 2-hexyldecan-1-amine.
What is the SMILES notation for 2-hexyldecan-1-amine?
The canonical SMILES for 2-hexyldecan-1-amine is CCCCCCCCC(CN)CCCCCC.
What is the InChIKey of 2-hexyldecan-1-amine?
The InChIKey is HEGUXAZWCQVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3.
What are the key properties of 2-hexyldecan-1-amine?
2-hexyldecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldecan-1-amine is sourced from PubChem (CID 15335006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).