[1-(3-methylbutyl)cyclopropyl]methanamine

C9H19N — CID 66026850

IUPAC[1-(3-methylbutyl)cyclopropyl]methanamine
SMILESCC(C)CCC1(CN)CC1
InChIInChI=1S/C9H19N/c1-8(2)3-4-9(7-10)5-6-9/h8H,3-7,10H2,1-2H3
InChIKeyDADKZJOCVQNCMM-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds4

About [1-(3-methylbutyl)cyclopropyl]methanamine

[1-(3-methylbutyl)cyclopropyl]methanamine (PubChem CID 66026850) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is [1-(3-methylbutyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbutyl)cyclopropyl]methanamine
PubChem CID66026850
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name[1-(3-methylbutyl)cyclopropyl]methanamine
SMILESCC(C)CCC1(CN)CC1
InChIInChI=1S/C9H19N/c1-8(2)3-4-9(7-10)5-6-9/h8H,3-7,10H2,1-2H3
InChIKeyDADKZJOCVQNCMM-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 [1-(3-methylbutyl)cyclopropyl]methanamine 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 [1-(3-methylbutyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methylbutyl)cyclopropyl]methanamine (CID 66026850) is [1-(3-methylbutyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methylbutyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methylbutyl)cyclopropyl]methanamine is CC(C)CCC1(CN)CC1.
What is the InChIKey of [1-(3-methylbutyl)cyclopropyl]methanamine?
The InChIKey is DADKZJOCVQNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)3-4-9(7-10)5-6-9/h8H,3-7,10H2,1-2H3.
What are the key properties of [1-(3-methylbutyl)cyclopropyl]methanamine?
[1-(3-methylbutyl)cyclopropyl]methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)cyclopropyl]methanamine is sourced from PubChem (CID 66026850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).