1-cyclopentyl-2-(3-hydroxypropyl)guanidine

C9H19N3O — CID 62364719

IUPAC1-cyclopentyl-2-(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NC1CCCC1
InChIInChI=1S/C9H19N3O/c10-9(11-6-3-7-13)12-8-4-1-2-5-8/h8,13H,1-7H2,(H3,10,11,12)
InChIKeyQXHYZMMZZPLHSW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.22
Rot. Bonds4

About 1-cyclopentyl-2-(3-hydroxypropyl)guanidine

1-cyclopentyl-2-(3-hydroxypropyl)guanidine (PubChem CID 62364719) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-hydroxypropyl)guanidine
PubChem CID62364719
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-cyclopentyl-2-(3-hydroxypropyl)guanidine
SMILESN/C(=N\CCCO)NC1CCCC1
InChIInChI=1S/C9H19N3O/c10-9(11-6-3-7-13)12-8-4-1-2-5-8/h8,13H,1-7H2,(H3,10,11,12)
InChIKeyQXHYZMMZZPLHSW-UHFFFAOYSA-N
XLogP0.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(3-hydroxypropyl)guanidine (CID 62364719) is 1-cyclopentyl-2-(3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(3-hydroxypropyl)guanidine is N/C(=N\CCCO)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-hydroxypropyl)guanidine?
The InChIKey is QXHYZMMZZPLHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-9(11-6-3-7-13)12-8-4-1-2-5-8/h8,13H,1-7H2,(H3,10,11,12).
What are the key properties of 1-cyclopentyl-2-(3-hydroxypropyl)guanidine?
1-cyclopentyl-2-(3-hydroxypropyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.22, 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-hydroxypropyl)guanidine is sourced from PubChem (CID 62364719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).