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

C11H23N3O — CID 62521969

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C11H23N3O/c1-9(2)7-13-10(12)14-11(8-15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyJAFLSRRHJBZZHK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.85
Rot. Bonds4

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

1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine (PubChem CID 62521969) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
PubChem CID62521969
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C11H23N3O/c1-9(2)7-13-10(12)14-11(8-15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyJAFLSRRHJBZZHK-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.85
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 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine (CID 62521969) is 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine?
The InChIKey is JAFLSRRHJBZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)7-13-10(12)14-11(8-15)5-3-4-6-11/h9,15H,3-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine?
1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62521969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).