2-chloro-N,4,4-trimethylpentan-1-amine

C8H18ClN — CID 107155762

IUPAC2-chloro-N,4,4-trimethylpentan-1-amine
SMILESCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C8H18ClN/c1-8(2,3)5-7(9)6-10-4/h7,10H,5-6H2,1-4H3
InChIKeyDFSOLQVCZZXVSS-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.25
Rot. Bonds3

About 2-chloro-N,4,4-trimethylpentan-1-amine

2-chloro-N,4,4-trimethylpentan-1-amine (PubChem CID 107155762) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 2-chloro-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N,4,4-trimethylpentan-1-amine
PubChem CID107155762
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name2-chloro-N,4,4-trimethylpentan-1-amine
SMILESCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C8H18ClN/c1-8(2,3)5-7(9)6-10-4/h7,10H,5-6H2,1-4H3
InChIKeyDFSOLQVCZZXVSS-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N,4,4-trimethylpentan-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

2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
CID 107155601
2-chloro-4,4-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 107155576
2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
CID 107155670
2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
CID 107155611
2-chloro-4,4-dimethyl-N-pentylpentan-1-amine
CID 107155629
N-(2-chloro-4,4-dimethylpentyl)dodecan-1-amine
CID 107155628
N-(2-chloro-4,4-dimethylpentyl)octan-1-amine
CID 107155580
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
CID 162040885
N-(2-chloro-4,4-dimethylpentyl)-4,6-dimethylpyrimidin-2-amine
CID 107156052
2-cyclopropyl-N,4,4-trimethylpentan-1-amine
CID 83827155
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 2-chloro-N,4,4-trimethylpentan-1-amine (CID 107155762) is 2-chloro-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 2-chloro-N,4,4-trimethylpentan-1-amine is CNCC(Cl)CC(C)(C)C.
What is the InChIKey of 2-chloro-N,4,4-trimethylpentan-1-amine?
The InChIKey is DFSOLQVCZZXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-8(2,3)5-7(9)6-10-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N,4,4-trimethylpentan-1-amine?
2-chloro-N,4,4-trimethylpentan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 107155762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).