1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine

C20H36N4 — CID 119161942

IUPAC1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(/NC1CCN(CC2CC2)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C20H36N4/c1-21-20(23-19-13-18(19)16-5-3-2-4-6-16)22-17-9-11-24(12-10-17)14-15-7-8-15/h15-19H,2-14H2,1H3,(H2,21,22,23)
InChIKeySPHPGFPUTSEVIN-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine

1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine (PubChem CID 119161942) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
PubChem CID119161942
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(/NC1CCN(CC2CC2)CC1)NC1CC1C1CCCCC1
InChIInChI=1S/C20H36N4/c1-21-20(23-19-13-18(19)16-5-3-2-4-6-16)22-17-9-11-24(12-10-17)14-15-7-8-15/h15-19H,2-14H2,1H3,(H2,21,22,23)
InChIKeySPHPGFPUTSEVIN-UHFFFAOYSA-N
XLogP2.99
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.99
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-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine 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-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine (CID 119161942) is 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine is C/N=C(/NC1CCN(CC2CC2)CC1)NC1CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine?
The InChIKey is SPHPGFPUTSEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4/c1-21-20(23-19-13-18(19)16-5-3-2-4-6-16)22-17-9-11-24(12-10-17)14-15-7-8-15/h15-19H,2-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine?
1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine has a molecular weight of 332.54 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine is sourced from PubChem (CID 119161942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).