1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine

C12H24N4 — CID 24879442

IUPAC1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NC1CCC(N)CC1
InChIInChI=1S/C12H24N4/c1-9(2)7-8-15-12(14)16-11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3,(H3,14,15,16)
InChIKeyWSNSEFCRNUNVRR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.13
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine

1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine (PubChem CID 24879442) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine
PubChem CID24879442
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NC1CCC(N)CC1
InChIInChI=1S/C12H24N4/c1-9(2)7-8-15-12(14)16-11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3,(H3,14,15,16)
InChIKeyWSNSEFCRNUNVRR-UHFFFAOYSA-N
XLogP1.13
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)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 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine (CID 24879442) is 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine is CC(C)=CC/N=C(\N)NC1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is WSNSEFCRNUNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)7-8-15-12(14)16-11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine?
1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 24879442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).