3-chloro-3-hexylnonan-1-amine

C15H32ClN — CID 90301829

IUPAC3-chloro-3-hexylnonan-1-amine
SMILESCCCCCCC(Cl)(CCN)CCCCCC
InChIInChI=1S/C15H32ClN/c1-3-5-7-9-11-15(16,13-14-17)12-10-8-6-4-2/h3-14,17H2,1-2H3
InChIKeyGCIFJPIZTRRZEB-UHFFFAOYSA-N
MW261.88 g/mol
LogP5.25
Rot. Bonds12

About 3-chloro-3-hexylnonan-1-amine

3-chloro-3-hexylnonan-1-amine (PubChem CID 90301829) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is 3-chloro-3-hexylnonan-1-amine.

Molecular Properties

Compound Name3-chloro-3-hexylnonan-1-amine
PubChem CID90301829
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Name3-chloro-3-hexylnonan-1-amine
SMILESCCCCCCC(Cl)(CCN)CCCCCC
InChIInChI=1S/C15H32ClN/c1-3-5-7-9-11-15(16,13-14-17)12-10-8-6-4-2/h3-14,17H2,1-2H3
InChIKeyGCIFJPIZTRRZEB-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-hexylnonan-1-amine?
The IUPAC name of 3-chloro-3-hexylnonan-1-amine (CID 90301829) is 3-chloro-3-hexylnonan-1-amine.
What is the SMILES notation for 3-chloro-3-hexylnonan-1-amine?
The canonical SMILES for 3-chloro-3-hexylnonan-1-amine is CCCCCCC(Cl)(CCN)CCCCCC.
What is the InChIKey of 3-chloro-3-hexylnonan-1-amine?
The InChIKey is GCIFJPIZTRRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32ClN/c1-3-5-7-9-11-15(16,13-14-17)12-10-8-6-4-2/h3-14,17H2,1-2H3.
What are the key properties of 3-chloro-3-hexylnonan-1-amine?
3-chloro-3-hexylnonan-1-amine has a molecular weight of 261.88 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-hexylnonan-1-amine is sourced from PubChem (CID 90301829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).