2-cyclopropyl-N-ethenylethanamine

C7H13N — CID 147013905

IUPAC2-cyclopropyl-N-ethenylethanamine
SMILESC=CNCCC1CC1
InChIInChI=1S/C7H13N/c1-2-8-6-5-7-3-4-7/h2,7-8H,1,3-6H2
InChIKeyAUKDPDBEPURCHB-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.52
Rot. Bonds4

About 2-cyclopropyl-N-ethenylethanamine

2-cyclopropyl-N-ethenylethanamine (PubChem CID 147013905) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethenylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethenylethanamine
PubChem CID147013905
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-cyclopropyl-N-ethenylethanamine
SMILESC=CNCCC1CC1
InChIInChI=1S/C7H13N/c1-2-8-6-5-7-3-4-7/h2,7-8H,1,3-6H2
InChIKeyAUKDPDBEPURCHB-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-N-ethenylethanamine 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 2-cyclopropyl-N-ethenylethanamine?
The IUPAC name of 2-cyclopropyl-N-ethenylethanamine (CID 147013905) is 2-cyclopropyl-N-ethenylethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethenylethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethenylethanamine is C=CNCCC1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethenylethanamine?
The InChIKey is AUKDPDBEPURCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-8-6-5-7-3-4-7/h2,7-8H,1,3-6H2.
What are the key properties of 2-cyclopropyl-N-ethenylethanamine?
2-cyclopropyl-N-ethenylethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethenylethanamine is sourced from PubChem (CID 147013905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).