1-cyclopropyl-2-(2-hydroxyethyl)guanidine

C6H13N3O — CID 62046296

IUPAC1-cyclopropyl-2-(2-hydroxyethyl)guanidine
SMILESN/C(=N\CCO)NC1CC1
InChIInChI=1S/C6H13N3O/c7-6(8-3-4-10)9-5-1-2-5/h5,10H,1-4H2,(H3,7,8,9)
InChIKeyPUWDCQYPWRYNRF-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.95
Rot. Bonds3

About 1-cyclopropyl-2-(2-hydroxyethyl)guanidine

1-cyclopropyl-2-(2-hydroxyethyl)guanidine (PubChem CID 62046296) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-hydroxyethyl)guanidine
PubChem CID62046296
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-cyclopropyl-2-(2-hydroxyethyl)guanidine
SMILESN/C(=N\CCO)NC1CC1
InChIInChI=1S/C6H13N3O/c7-6(8-3-4-10)9-5-1-2-5/h5,10H,1-4H2,(H3,7,8,9)
InChIKeyPUWDCQYPWRYNRF-UHFFFAOYSA-N
XLogP-0.95
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.95
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-cyclopropyl-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(2-hydroxyethyl)guanidine (CID 62046296) is 1-cyclopropyl-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(2-hydroxyethyl)guanidine is N/C(=N\CCO)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-hydroxyethyl)guanidine?
The InChIKey is PUWDCQYPWRYNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8-3-4-10)9-5-1-2-5/h5,10H,1-4H2,(H3,7,8,9).
What are the key properties of 1-cyclopropyl-2-(2-hydroxyethyl)guanidine?
1-cyclopropyl-2-(2-hydroxyethyl)guanidine has a molecular weight of 143.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 62046296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).