1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine

C12H24N4 — CID 104885819

IUPAC1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
SMILESCC1CCC(C/N=C(\NN)NC2CC2)CC1
InChIInChI=1S/C12H24N4/c1-9-2-4-10(5-3-9)8-14-12(16-13)15-11-6-7-11/h9-11H,2-8,13H2,1H3,(H2,14,15,16)
InChIKeyTUTQFAYZDXPSAX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds3

About 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine

1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine (PubChem CID 104885819) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
PubChem CID104885819
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
SMILESCC1CCC(C/N=C(\NN)NC2CC2)CC1
InChIInChI=1S/C12H24N4/c1-9-2-4-10(5-3-9)8-14-12(16-13)15-11-6-7-11/h9-11H,2-8,13H2,1H3,(H2,14,15,16)
InChIKeyTUTQFAYZDXPSAX-UHFFFAOYSA-N
XLogP1.38
TPSA62.44 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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine 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-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
CID 104883140
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-amino-3-tert-butyl-2-(cyclopropylmethyl)guanidine;hydroiodide
CID 2730518
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-3-cyclopropyl-2-(oxan-2-ylmethyl)guanidine
CID 104884451
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine (CID 104885819) is 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine is CC1CCC(C/N=C(\NN)NC2CC2)CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine?
The InChIKey is TUTQFAYZDXPSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9-2-4-10(5-3-9)8-14-12(16-13)15-11-6-7-11/h9-11H,2-8,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine?
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 104885819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).