9-chloro-N,2-dimethylnonadecan-9-amine

C21H44ClN — CID 57071693

IUPAC9-chloro-N,2-dimethylnonadecan-9-amine
SMILESCCCCCCCCCCC(Cl)(CCCCCCC(C)C)NC
InChIInChI=1S/C21H44ClN/c1-5-6-7-8-9-10-12-15-18-21(22,23-4)19-16-13-11-14-17-20(2)3/h20,23H,5-19H2,1-4H3
InChIKeyZHUHSTIFZQRHRX-UHFFFAOYSA-N
MW346.04 g/mol
LogP7.67
Rot. Bonds17

About 9-chloro-N,2-dimethylnonadecan-9-amine

9-chloro-N,2-dimethylnonadecan-9-amine (PubChem CID 57071693) has the molecular formula C21H44ClN and a molecular weight of 346.04 g/mol. Its IUPAC name is 9-chloro-N,2-dimethylnonadecan-9-amine.

Molecular Properties

Compound Name9-chloro-N,2-dimethylnonadecan-9-amine
PubChem CID57071693
Molecular FormulaC21H44ClN
Molecular Weight346.04 g/mol
Exact Mass345.32
IUPAC Name9-chloro-N,2-dimethylnonadecan-9-amine
SMILESCCCCCCCCCCC(Cl)(CCCCCCC(C)C)NC
InChIInChI=1S/C21H44ClN/c1-5-6-7-8-9-10-12-15-18-21(22,23-4)19-16-13-11-14-17-20(2)3/h20,23H,5-19H2,1-4H3
InChIKeyZHUHSTIFZQRHRX-UHFFFAOYSA-N
XLogP7.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 57.67
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N,2-dimethylnonadecan-9-amine?
The IUPAC name of 9-chloro-N,2-dimethylnonadecan-9-amine (CID 57071693) is 9-chloro-N,2-dimethylnonadecan-9-amine.
What is the SMILES notation for 9-chloro-N,2-dimethylnonadecan-9-amine?
The canonical SMILES for 9-chloro-N,2-dimethylnonadecan-9-amine is CCCCCCCCCCC(Cl)(CCCCCCC(C)C)NC.
What is the InChIKey of 9-chloro-N,2-dimethylnonadecan-9-amine?
The InChIKey is ZHUHSTIFZQRHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44ClN/c1-5-6-7-8-9-10-12-15-18-21(22,23-4)19-16-13-11-14-17-20(2)3/h20,23H,5-19H2,1-4H3.
What are the key properties of 9-chloro-N,2-dimethylnonadecan-9-amine?
9-chloro-N,2-dimethylnonadecan-9-amine has a molecular weight of 346.04 g/mol, XLogP of 7.67, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N,2-dimethylnonadecan-9-amine is sourced from PubChem (CID 57071693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).