3-pentan-2-ylcyclobutan-1-amine

C9H19N — CID 130531889

IUPAC3-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)C1CC(N)C1
InChIInChI=1S/C9H19N/c1-3-4-7(2)8-5-9(10)6-8/h7-9H,3-6,10H2,1-2H3
InChIKeyWEOQPNPKBXBUNK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds3

About 3-pentan-2-ylcyclobutan-1-amine

3-pentan-2-ylcyclobutan-1-amine (PubChem CID 130531889) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-pentan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-pentan-2-ylcyclobutan-1-amine
PubChem CID130531889
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)C1CC(N)C1
InChIInChI=1S/C9H19N/c1-3-4-7(2)8-5-9(10)6-8/h7-9H,3-6,10H2,1-2H3
InChIKeyWEOQPNPKBXBUNK-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-pentan-2-ylcyclobutan-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

1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-(bromomethyl)-4-pentan-2-ylcyclohexane
CID 163505099
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
CID 163594435
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
3-(1-aminoethyl)cyclobutan-1-amine
CID 116937287
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
cis-(4S,6R)-1,6-dimethyl-4-[(2R)-pentan-2-yl]cyclohexane-1,2-diol
CID 129073832

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-pentan-2-ylcyclobutan-1-amine (CID 130531889) is 3-pentan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-pentan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-pentan-2-ylcyclobutan-1-amine is CCCC(C)C1CC(N)C1.
What is the InChIKey of 3-pentan-2-ylcyclobutan-1-amine?
The InChIKey is WEOQPNPKBXBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-4-7(2)8-5-9(10)6-8/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-pentan-2-ylcyclobutan-1-amine?
3-pentan-2-ylcyclobutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 130531889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).