1-chloro-N,N-dimethylpentadecan-1-amine

C17H36ClN — CID 165176511

IUPAC1-chloro-N,N-dimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCCCC(Cl)N(C)C
InChIInChI=1S/C17H36ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19(2)3/h17H,4-16H2,1-3H3
InChIKeyLKONRVGMVROHSS-UHFFFAOYSA-N
MW289.94 g/mol
LogP6.20
Rot. Bonds14

About 1-chloro-N,N-dimethylpentadecan-1-amine

1-chloro-N,N-dimethylpentadecan-1-amine (PubChem CID 165176511) has the molecular formula C17H36ClN and a molecular weight of 289.94 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylpentadecan-1-amine.

Molecular Properties

Compound Name1-chloro-N,N-dimethylpentadecan-1-amine
PubChem CID165176511
Molecular FormulaC17H36ClN
Molecular Weight289.94 g/mol
Exact Mass289.25
IUPAC Name1-chloro-N,N-dimethylpentadecan-1-amine
SMILESCCCCCCCCCCCCCCC(Cl)N(C)C
InChIInChI=1S/C17H36ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19(2)3/h17H,4-16H2,1-3H3
InChIKeyLKONRVGMVROHSS-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.94
LogP ≤ 56.20
H-Bond Donors ≤ 50
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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Related Compounds

1-chloro-N-ethyl-N-methylhexadecan-1-amine
CID 174395763
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N-chloro-N-methylhenicosan-11-amine
CID 141096758
1-(dimethylamino)pentadecan-1-ol
CID 87151804
2-chloro-N,N-dimethylnonan-1-amine;hydrochloride
CID 174462199

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethylpentadecan-1-amine?
The IUPAC name of 1-chloro-N,N-dimethylpentadecan-1-amine (CID 165176511) is 1-chloro-N,N-dimethylpentadecan-1-amine.
What is the SMILES notation for 1-chloro-N,N-dimethylpentadecan-1-amine?
The canonical SMILES for 1-chloro-N,N-dimethylpentadecan-1-amine is CCCCCCCCCCCCCCC(Cl)N(C)C.
What is the InChIKey of 1-chloro-N,N-dimethylpentadecan-1-amine?
The InChIKey is LKONRVGMVROHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 1-chloro-N,N-dimethylpentadecan-1-amine?
1-chloro-N,N-dimethylpentadecan-1-amine has a molecular weight of 289.94 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylpentadecan-1-amine is sourced from PubChem (CID 165176511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).