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

C8H17N3O — CID 62522329

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine
SMILESC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C8H17N3O/c1-10-7(9)11-8(6-12)4-2-3-5-8/h12H,2-6H2,1H3,(H3,9,10,11)
InChIKeyOHPZGPNBLJCRDS-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.17
Rot. Bonds2

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

1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine (PubChem CID 62522329) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine
PubChem CID62522329
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine
SMILESC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C8H17N3O/c1-10-7(9)11-8(6-12)4-2-3-5-8/h12H,2-6H2,1H3,(H3,9,10,11)
InChIKeyOHPZGPNBLJCRDS-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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-methylguanidine?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine (CID 62522329) is 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine is C/N=C(\N)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine?
The InChIKey is OHPZGPNBLJCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-7(9)11-8(6-12)4-2-3-5-8/h12H,2-6H2,1H3,(H3,9,10,11).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine?
1-[1-(hydroxymethyl)cyclopentyl]-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of -0.17, 2 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-methylguanidine is sourced from PubChem (CID 62522329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).