N-(1-chloropropan-2-yl)-2-methylbutan-1-amine

C8H18ClN — CID 65025334

IUPACN-(1-chloropropan-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)CCl
InChIInChI=1S/C8H18ClN/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyBHHWIGPJCGYNGK-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.25
Rot. Bonds5

About N-(1-chloropropan-2-yl)-2-methylbutan-1-amine

N-(1-chloropropan-2-yl)-2-methylbutan-1-amine (PubChem CID 65025334) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-methylbutan-1-amine
PubChem CID65025334
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(1-chloropropan-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)CNC(C)CCl
InChIInChI=1S/C8H18ClN/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyBHHWIGPJCGYNGK-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 N-(1-chloropropan-2-yl)-2-methylbutan-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-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
6-methyl-N-(2-methylbutyl)heptan-2-amine
CID 43106983
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
2,6-dimethyl-N-(2-methylbutyl)heptan-4-amine
CID 63477692
2-(2-methylbutylamino)propanenitrile
CID 62692860
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 115899950
2-methyl-N-phosphanylbutan-1-amine
CID 88977726

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-methylbutan-1-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-2-methylbutan-1-amine (CID 65025334) is N-(1-chloropropan-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-methylbutan-1-amine is CCC(C)CNC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-methylbutan-1-amine?
The InChIKey is BHHWIGPJCGYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-2-methylbutan-1-amine?
N-(1-chloropropan-2-yl)-2-methylbutan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 65025334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).