N-(3-methylbut-1-en-2-yl)cyclopropanamine

C8H15N — CID 70312510

IUPACN-(3-methylbut-1-en-2-yl)cyclopropanamine
SMILESC=C(NC1CC1)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)9-8-4-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyANISFMVKPVWEAZ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds3

About N-(3-methylbut-1-en-2-yl)cyclopropanamine

N-(3-methylbut-1-en-2-yl)cyclopropanamine (PubChem CID 70312510) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)cyclopropanamine
PubChem CID70312510
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(3-methylbut-1-en-2-yl)cyclopropanamine
SMILESC=C(NC1CC1)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)9-8-4-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyANISFMVKPVWEAZ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbut-1-en-2-yl)cyclopropanamine 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-(3-methylbut-1-en-2-yl)cyclopropanamine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)cyclopropanamine (CID 70312510) is N-(3-methylbut-1-en-2-yl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)cyclopropanamine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)cyclopropanamine is C=C(NC1CC1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)cyclopropanamine?
The InChIKey is ANISFMVKPVWEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)7(3)9-8-4-5-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)cyclopropanamine?
N-(3-methylbut-1-en-2-yl)cyclopropanamine has a molecular weight of 125.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)cyclopropanamine is sourced from PubChem (CID 70312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).