1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine

C10H21N3O — CID 62411958

IUPAC1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCC(CO)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(7-14)6-12-10(11)13-9-4-2-3-5-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyBSKIFDCBLACEFY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds4

About 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine

1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine (PubChem CID 62411958) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
PubChem CID62411958
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCC(CO)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(7-14)6-12-10(11)13-9-4-2-3-5-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13)
InChIKeyBSKIFDCBLACEFY-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
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-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine (CID 62411958) is 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine is CC(CO)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The InChIKey is BSKIFDCBLACEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(7-14)6-12-10(11)13-9-4-2-3-5-9/h8-9,14H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine?
1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine is sourced from PubChem (CID 62411958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).