2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine

C14H25N3 — CID 119151835

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC1CC=CCC1)NC1CC1C
InChIInChI=1S/C14H25N3/c1-3-15-14(17-13-9-11(13)2)16-10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,15,16,17)
InChIKeyMQUVQNRJSSFRDW-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.31
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine

2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 119151835) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
PubChem CID119151835
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC1CC=CCC1)NC1CC1C
InChIInChI=1S/C14H25N3/c1-3-15-14(17-13-9-11(13)2)16-10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,15,16,17)
InChIKeyMQUVQNRJSSFRDW-UHFFFAOYSA-N
XLogP2.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine 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-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine (CID 119151835) is 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CC1CC=CCC1)NC1CC1C.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is MQUVQNRJSSFRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-15-14(17-13-9-11(13)2)16-10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine?
2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 235.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 119151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).