3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine

C12H23N3 — CID 100611868

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
SMILESC/N=C(/NCCC1=CCCCC1)N(C)C
InChIInChI=1S/C12H23N3/c1-13-12(15(2)3)14-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,13,14)
InChIKeyMWNDOYOXKRJLKH-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.01
Rot. Bonds3

About 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine

3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine (PubChem CID 100611868) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
PubChem CID100611868
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
SMILESC/N=C(/NCCC1=CCCCC1)N(C)C
InChIInChI=1S/C12H23N3/c1-13-12(15(2)3)14-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,13,14)
InChIKeyMWNDOYOXKRJLKH-UHFFFAOYSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
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 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine 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-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
3-(4-Methylpent-3-en-1-yl)-1-[9-([7-[(4-methylpent-3-en-1-yl)-carbamimidamido]heptyl]amino)nonyl]guanidine
CID 129661500

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine (CID 100611868) is 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine is C/N=C(/NCCC1=CCCCC1)N(C)C.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine?
The InChIKey is MWNDOYOXKRJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-12(15(2)3)14-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine?
3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine is sourced from PubChem (CID 100611868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).