2,3-dicyclohexyl-1,1-dimethylguanidine

C30H58N6 — CID 139106940

IUPAC2,3-dicyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NC1CCCCC1.CN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/2C15H29N3/c2*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2*13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyXKJBTCGUBJEATL-UHFFFAOYSA-N
MW502.84 g/mol
LogP6.32
Rot. Bonds4

About 2,3-dicyclohexyl-1,1-dimethylguanidine

2,3-dicyclohexyl-1,1-dimethylguanidine (PubChem CID 139106940) has the molecular formula C30H58N6 and a molecular weight of 502.84 g/mol. Its IUPAC name is 2,3-dicyclohexyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2,3-dicyclohexyl-1,1-dimethylguanidine
PubChem CID139106940
Molecular FormulaC30H58N6
Molecular Weight502.84 g/mol
Exact Mass502.47
IUPAC Name2,3-dicyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NC1CCCCC1.CN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/2C15H29N3/c2*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2*13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyXKJBTCGUBJEATL-UHFFFAOYSA-N
XLogP6.32
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.84
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dicyclohexyl-1,1-dimethylguanidine 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 2,3-dicyclohexyl-1,1-dimethylguanidine?
The IUPAC name of 2,3-dicyclohexyl-1,1-dimethylguanidine (CID 139106940) is 2,3-dicyclohexyl-1,1-dimethylguanidine.
What is the SMILES notation for 2,3-dicyclohexyl-1,1-dimethylguanidine?
The canonical SMILES for 2,3-dicyclohexyl-1,1-dimethylguanidine is CN(C)/C(=N\C1CCCCC1)NC1CCCCC1.CN(C)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-1,1-dimethylguanidine?
The InChIKey is XKJBTCGUBJEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H29N3/c2*1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2*13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dicyclohexyl-1,1-dimethylguanidine?
2,3-dicyclohexyl-1,1-dimethylguanidine has a molecular weight of 502.84 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-1,1-dimethylguanidine is sourced from PubChem (CID 139106940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).