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

C12H23N3O — CID 62521970

IUPAC2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\C1CCCC1)NC1(CO)CCCC1
InChIInChI=1S/C12H23N3O/c13-11(14-10-5-1-2-6-10)15-12(9-16)7-3-4-8-12/h10,16H,1-9H2,(H3,13,14,15)
InChIKeyKCRVUOXVDSWBSY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.14
Rot. Bonds3

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

2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 62521970) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID62521970
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\C1CCCC1)NC1(CO)CCCC1
InChIInChI=1S/C12H23N3O/c13-11(14-10-5-1-2-6-10)15-12(9-16)7-3-4-8-12/h10,16H,1-9H2,(H3,13,14,15)
InChIKeyKCRVUOXVDSWBSY-UHFFFAOYSA-N
XLogP1.14
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.14
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-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (CID 62521970) is 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is N/C(=N\C1CCCC1)NC1(CO)CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is KCRVUOXVDSWBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-11(14-10-5-1-2-6-10)15-12(9-16)7-3-4-8-12/h10,16H,1-9H2,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 62521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).