12-chloro-N,N-dimethyldodecan-1-amine

C14H30ClN — CID 71338336

IUPAC12-chloro-N,N-dimethyldodecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCl
InChIInChI=1S/C14H30ClN/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15/h3-14H2,1-2H3
InChIKeyMZKIVJRINQVZPQ-UHFFFAOYSA-N
MW247.85 g/mol
LogP4.69
Rot. Bonds12

About 12-chloro-N,N-dimethyldodecan-1-amine

12-chloro-N,N-dimethyldodecan-1-amine (PubChem CID 71338336) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is 12-chloro-N,N-dimethyldodecan-1-amine.

Molecular Properties

Compound Name12-chloro-N,N-dimethyldodecan-1-amine
PubChem CID71338336
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC Name12-chloro-N,N-dimethyldodecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCl
InChIInChI=1S/C14H30ClN/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15/h3-14H2,1-2H3
InChIKeyMZKIVJRINQVZPQ-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 54.69
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'}

Analyze 12-chloro-N,N-dimethyldodecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
8-chloro-N,N-bis(8-chlorooctyl)octan-1-amine
CID 170325577
N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
N,N-dimethyloctan-1-amine
CID 161279104
iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
CID 88790797
N,N-dimethylnonadecan-1-amine
CID 546994
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650

Frequently Asked Questions

What is the IUPAC name of 12-chloro-N,N-dimethyldodecan-1-amine?
The IUPAC name of 12-chloro-N,N-dimethyldodecan-1-amine (CID 71338336) is 12-chloro-N,N-dimethyldodecan-1-amine.
What is the SMILES notation for 12-chloro-N,N-dimethyldodecan-1-amine?
The canonical SMILES for 12-chloro-N,N-dimethyldodecan-1-amine is CN(C)CCCCCCCCCCCCCl.
What is the InChIKey of 12-chloro-N,N-dimethyldodecan-1-amine?
The InChIKey is MZKIVJRINQVZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClN/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15/h3-14H2,1-2H3.
What are the key properties of 12-chloro-N,N-dimethyldodecan-1-amine?
12-chloro-N,N-dimethyldodecan-1-amine has a molecular weight of 247.85 g/mol, XLogP of 4.69, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-N,N-dimethyldodecan-1-amine is sourced from PubChem (CID 71338336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).