1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine

C8H17N3O — CID 107420682

IUPAC1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
SMILESCC1CCCC1C/N=C(\N)NO
InChIInChI=1S/C8H17N3O/c1-6-3-2-4-7(6)5-10-8(9)11-12/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyKJJVKBQVRVXTCZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds2

About 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine

1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine (PubChem CID 107420682) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
PubChem CID107420682
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
SMILESCC1CCCC1C/N=C(\N)NO
InChIInChI=1S/C8H17N3O/c1-6-3-2-4-7(6)5-10-8(9)11-12/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyKJJVKBQVRVXTCZ-UHFFFAOYSA-N
XLogP0.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
CID 110920662
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
1-amino-2-[(2-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 107421475
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
N'-[(2-methylcyclohexyl)methyl]butanimidamide
CID 63176610
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
1-(isothiocyanatomethyl)-2-methylcyclopentane
CID 107418936
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine (CID 107420682) is 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine is CC1CCCC1C/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine?
The InChIKey is KJJVKBQVRVXTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-3-2-4-7(6)5-10-8(9)11-12/h6-7,12H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine?
1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine has a molecular weight of 171.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 107420682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).