2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine

C13H25N3O — CID 62521971

IUPAC2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\C1CCCCC1)NC1(CO)CCCC1
InChIInChI=1S/C13H25N3O/c14-12(15-11-6-2-1-3-7-11)16-13(10-17)8-4-5-9-13/h11,17H,1-10H2,(H3,14,15,16)
InChIKeyHWBXPHJPQBZQBC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.53
Rot. Bonds3

About 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine

2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 62521971) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID62521971
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\C1CCCCC1)NC1(CO)CCCC1
InChIInChI=1S/C13H25N3O/c14-12(15-11-6-2-1-3-7-11)16-13(10-17)8-4-5-9-13/h11,17H,1-10H2,(H3,14,15,16)
InChIKeyHWBXPHJPQBZQBC-UHFFFAOYSA-N
XLogP1.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (CID 62521971) is 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is N/C(=N\C1CCCCC1)NC1(CO)CCCC1.
What is the InChIKey of 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is HWBXPHJPQBZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-12(15-11-6-2-1-3-7-11)16-13(10-17)8-4-5-9-13/h11,17H,1-10H2,(H3,14,15,16).
What are the key properties of 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 62521971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).