1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine

C17H32N4 — CID 66586251

IUPAC1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine
SMILESN/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCNC1
InChIInChI=1S/C17H32N4/c18-17(20-14-7-3-1-4-8-14)21(16-11-12-19-13-16)15-9-5-2-6-10-15/h14-16,19H,1-13H2,(H2,18,20)
InChIKeyBXYMNQLNEFGGAW-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.63
Rot. Bonds3

About 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine

1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine (PubChem CID 66586251) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine
PubChem CID66586251
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine
SMILESN/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCNC1
InChIInChI=1S/C17H32N4/c18-17(20-14-7-3-1-4-8-14)21(16-11-12-19-13-16)15-9-5-2-6-10-15/h14-16,19H,1-13H2,(H2,18,20)
InChIKeyBXYMNQLNEFGGAW-UHFFFAOYSA-N
XLogP2.63
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.63
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 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine 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 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine?
The IUPAC name of 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine (CID 66586251) is 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine.
What is the SMILES notation for 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine?
The canonical SMILES for 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine is N/C(=N\C1CCCCC1)N(C1CCCCC1)C1CCNC1.
What is the InChIKey of 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine?
The InChIKey is BXYMNQLNEFGGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c18-17(20-14-7-3-1-4-8-14)21(16-11-12-19-13-16)15-9-5-2-6-10-15/h14-16,19H,1-13H2,(H2,18,20).
What are the key properties of 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine?
1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine has a molecular weight of 292.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-1-pyrrolidin-3-ylguanidine is sourced from PubChem (CID 66586251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).