3-chloro-3-decyltridecan-1-amine

C23H48ClN — CID 90302111

IUPAC3-chloro-3-decyltridecan-1-amine
SMILESCCCCCCCCCCC(Cl)(CCN)CCCCCCCCCC
InChIInChI=1S/C23H48ClN/c1-3-5-7-9-11-13-15-17-19-23(24,21-22-25)20-18-16-14-12-10-8-6-4-2/h3-22,25H2,1-2H3
InChIKeyUCTYCRYWXSBFGF-UHFFFAOYSA-N
MW374.10 g/mol
LogP8.37
Rot. Bonds20

About 3-chloro-3-decyltridecan-1-amine

3-chloro-3-decyltridecan-1-amine (PubChem CID 90302111) has the molecular formula C23H48ClN and a molecular weight of 374.10 g/mol. Its IUPAC name is 3-chloro-3-decyltridecan-1-amine.

Molecular Properties

Compound Name3-chloro-3-decyltridecan-1-amine
PubChem CID90302111
Molecular FormulaC23H48ClN
Molecular Weight374.10 g/mol
Exact Mass373.35
IUPAC Name3-chloro-3-decyltridecan-1-amine
SMILESCCCCCCCCCCC(Cl)(CCN)CCCCCCCCCC
InChIInChI=1S/C23H48ClN/c1-3-5-7-9-11-13-15-17-19-23(24,21-22-25)20-18-16-14-12-10-8-6-4-2/h3-22,25H2,1-2H3
InChIKeyUCTYCRYWXSBFGF-UHFFFAOYSA-N
XLogP8.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 58.37
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-decyltridecan-1-amine?
The IUPAC name of 3-chloro-3-decyltridecan-1-amine (CID 90302111) is 3-chloro-3-decyltridecan-1-amine.
What is the SMILES notation for 3-chloro-3-decyltridecan-1-amine?
The canonical SMILES for 3-chloro-3-decyltridecan-1-amine is CCCCCCCCCCC(Cl)(CCN)CCCCCCCCCC.
What is the InChIKey of 3-chloro-3-decyltridecan-1-amine?
The InChIKey is UCTYCRYWXSBFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48ClN/c1-3-5-7-9-11-13-15-17-19-23(24,21-22-25)20-18-16-14-12-10-8-6-4-2/h3-22,25H2,1-2H3.
What are the key properties of 3-chloro-3-decyltridecan-1-amine?
3-chloro-3-decyltridecan-1-amine has a molecular weight of 374.10 g/mol, XLogP of 8.37, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-decyltridecan-1-amine is sourced from PubChem (CID 90302111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).