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

C10H21N3O — CID 62522146

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine
SMILESCCC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-9(11)13-10(8-14)5-3-4-6-10/h14H,2-8H2,1H3,(H3,11,12,13)
InChIKeyINOVAZVJHLPOGK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.61
Rot. Bonds4

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

1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine (PubChem CID 62522146) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine
PubChem CID62522146
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine
SMILESCCC/N=C(\N)NC1(CO)CCCC1
InChIInChI=1S/C10H21N3O/c1-2-7-12-9(11)13-10(8-14)5-3-4-6-10/h14H,2-8H2,1H3,(H3,11,12,13)
InChIKeyINOVAZVJHLPOGK-UHFFFAOYSA-N
XLogP0.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.61
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-propylguanidine?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine (CID 62522146) is 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine is CCC/N=C(\N)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine?
The InChIKey is INOVAZVJHLPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-7-12-9(11)13-10(8-14)5-3-4-6-10/h14H,2-8H2,1H3,(H3,11,12,13).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine?
1-[1-(hydroxymethyl)cyclopentyl]-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.61, 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-propylguanidine is sourced from PubChem (CID 62522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).