N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine

C8H14ClN — CID 130171656

IUPACN-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine
SMILESC=C(Cl)CNC1CCC1C
InChIInChI=1S/C8H14ClN/c1-6-3-4-8(6)10-5-7(2)9/h6,8,10H,2-5H2,1H3
InChIKeyKVFQTLNHQLDEMA-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.13
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine

N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine (PubChem CID 130171656) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine
PubChem CID130171656
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC NameN-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine
SMILESC=C(Cl)CNC1CCC1C
InChIInChI=1S/C8H14ClN/c1-6-3-4-8(6)10-5-7(2)9/h6,8,10H,2-5H2,1H3
InChIKeyKVFQTLNHQLDEMA-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-2-methylcyclobutan-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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine (CID 130171656) is N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine is C=C(Cl)CNC1CCC1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine?
The InChIKey is KVFQTLNHQLDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-6-3-4-8(6)10-5-7(2)9/h6,8,10H,2-5H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine?
N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 130171656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).