1-chloro-N,N-dimethylpentan-3-amine

C7H16ClN — CID 116907512

IUPAC1-chloro-N,N-dimethylpentan-3-amine
SMILESCCC(CCCl)N(C)C
InChIInChI=1S/C7H16ClN/c1-4-7(5-6-8)9(2)3/h7H,4-6H2,1-3H3
InChIKeyYYXXLPUBYAMERX-UHFFFAOYSA-N
MW149.67 g/mol
LogP1.96
Rot. Bonds4

About 1-chloro-N,N-dimethylpentan-3-amine

1-chloro-N,N-dimethylpentan-3-amine (PubChem CID 116907512) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-chloro-N,N-dimethylpentan-3-amine
PubChem CID116907512
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name1-chloro-N,N-dimethylpentan-3-amine
SMILESCCC(CCCl)N(C)C
InChIInChI=1S/C7H16ClN/c1-4-7(5-6-8)9(2)3/h7H,4-6H2,1-3H3
InChIKeyYYXXLPUBYAMERX-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-N,N-dimethylpentan-3-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

(3-Chloropropyl)(methyl)(propan-2-yl)amine hydrochloride
CID 146049169
(1,5-Dichloropentan-3-yl)dimethylamine hydrochloride
CID 165755985
2-chloro-ethyl-N,N-dimethylethylamine
CID 13853495
(3-Chloropropyl)(methyl)(propan-2-yl)amine
CID 23091614
(2S)-1,5-dichloro-N,N-dimethylpentan-2-amine;hydrochloride
CID 134886422
(2R,3R)-3-chloro-N,N-dimethylbutan-2-amine
CID 5746314
(1,5-Dichloropentan-3-yl)dimethylamine
CID 129920958
1-chloro-N,N-dimethylbutan-2-amine
CID 413643
3-chloro-N,N-dimethylbutan-2-amine
CID 416885
1-Diisopropylamino-3-chloropropane
CID 12935431
4-Chlorobutyl(trimethyl)azanium
CID 13508504
5-Chloro-N,N-dimethyl-1-pentanamine
CID 13508529

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethylpentan-3-amine?
The IUPAC name of 1-chloro-N,N-dimethylpentan-3-amine (CID 116907512) is 1-chloro-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 1-chloro-N,N-dimethylpentan-3-amine?
The canonical SMILES for 1-chloro-N,N-dimethylpentan-3-amine is CCC(CCCl)N(C)C.
What is the InChIKey of 1-chloro-N,N-dimethylpentan-3-amine?
The InChIKey is YYXXLPUBYAMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-4-7(5-6-8)9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N,N-dimethylpentan-3-amine?
1-chloro-N,N-dimethylpentan-3-amine has a molecular weight of 149.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 116907512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).