3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine

C10H21N5 — CID 83032113

IUPAC3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1CCCC(C)C1
InChIInChI=1S/C10H21N5/c1-7-4-3-5-8(6-7)15(2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14)
InChIKeyXWUBMYUVAHCNEC-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.71
Rot. Bonds1

About 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine

3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine (PubChem CID 83032113) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine
PubChem CID83032113
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1CCCC(C)C1
InChIInChI=1S/C10H21N5/c1-7-4-3-5-8(6-7)15(2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14)
InChIKeyXWUBMYUVAHCNEC-UHFFFAOYSA-N
XLogP0.71
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)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 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine (CID 83032113) is 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine is [H]/N=C(\N=C(N)N)N(C)C1CCCC(C)C1.
What is the InChIKey of 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine?
The InChIKey is XWUBMYUVAHCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-7-4-3-5-8(6-7)15(2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14).
What are the key properties of 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine?
3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine has a molecular weight of 211.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-methyl-1-(3-methylcyclohexyl)guanidine is sourced from PubChem (CID 83032113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).