3-chloro-3-heptyldecan-1-amine

C17H36ClN — CID 90301854

IUPAC3-chloro-3-heptyldecan-1-amine
SMILESCCCCCCCC(Cl)(CCN)CCCCCCC
InChIInChI=1S/C17H36ClN/c1-3-5-7-9-11-13-17(18,15-16-19)14-12-10-8-6-4-2/h3-16,19H2,1-2H3
InChIKeyPVAVPRIDKVVDSE-UHFFFAOYSA-N
MW289.93 g/mol
LogP6.03
Rot. Bonds14

About 3-chloro-3-heptyldecan-1-amine

3-chloro-3-heptyldecan-1-amine (PubChem CID 90301854) has the molecular formula C17H36ClN and a molecular weight of 289.93 g/mol. Its IUPAC name is 3-chloro-3-heptyldecan-1-amine.

Molecular Properties

Compound Name3-chloro-3-heptyldecan-1-amine
PubChem CID90301854
Molecular FormulaC17H36ClN
Molecular Weight289.93 g/mol
Exact Mass289.25
IUPAC Name3-chloro-3-heptyldecan-1-amine
SMILESCCCCCCCC(Cl)(CCN)CCCCCCC
InChIInChI=1S/C17H36ClN/c1-3-5-7-9-11-13-17(18,15-16-19)14-12-10-8-6-4-2/h3-16,19H2,1-2H3
InChIKeyPVAVPRIDKVVDSE-UHFFFAOYSA-N
XLogP6.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.93
LogP ≤ 56.03
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-heptyldecan-1-amine?
The IUPAC name of 3-chloro-3-heptyldecan-1-amine (CID 90301854) is 3-chloro-3-heptyldecan-1-amine.
What is the SMILES notation for 3-chloro-3-heptyldecan-1-amine?
The canonical SMILES for 3-chloro-3-heptyldecan-1-amine is CCCCCCCC(Cl)(CCN)CCCCCCC.
What is the InChIKey of 3-chloro-3-heptyldecan-1-amine?
The InChIKey is PVAVPRIDKVVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36ClN/c1-3-5-7-9-11-13-17(18,15-16-19)14-12-10-8-6-4-2/h3-16,19H2,1-2H3.
What are the key properties of 3-chloro-3-heptyldecan-1-amine?
3-chloro-3-heptyldecan-1-amine has a molecular weight of 289.93 g/mol, XLogP of 6.03, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-heptyldecan-1-amine is sourced from PubChem (CID 90301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).