1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine

C12H26N4 — CID 104883054

IUPAC1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC1CCCC(C)C1C
InChIInChI=1S/C12H26N4/c1-4-8-14-12(16-13)15-11-7-5-6-9(2)10(11)3/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyAPWCXOAQTCLRRK-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.63
Rot. Bonds3

About 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine

1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine (PubChem CID 104883054) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
PubChem CID104883054
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC1CCCC(C)C1C
InChIInChI=1S/C12H26N4/c1-4-8-14-12(16-13)15-11-7-5-6-9(2)10(11)3/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyAPWCXOAQTCLRRK-UHFFFAOYSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.63
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-(2,3-dimethylcyclohexyl)-2-propylguanidine 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-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine (CID 104883054) is 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine is CCC/N=C(\NN)NC1CCCC(C)C1C.
What is the InChIKey of 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine?
The InChIKey is APWCXOAQTCLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-8-14-12(16-13)15-11-7-5-6-9(2)10(11)3/h9-11H,4-8,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine?
1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine is sourced from PubChem (CID 104883054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).