1-cyclopropyl-2-(oxan-4-yl)guanidine

C9H17N3O — CID 62361761

IUPAC1-cyclopropyl-2-(oxan-4-yl)guanidine
SMILESN/C(=N\C1CCOCC1)NC1CC1
InChIInChI=1S/C9H17N3O/c10-9(11-7-1-2-7)12-8-3-5-13-6-4-8/h7-8H,1-6H2,(H3,10,11,12)
InChIKeyRWPTYVCTQCKZRY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.23
Rot. Bonds2

About 1-cyclopropyl-2-(oxan-4-yl)guanidine

1-cyclopropyl-2-(oxan-4-yl)guanidine (PubChem CID 62361761) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(oxan-4-yl)guanidine
PubChem CID62361761
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-cyclopropyl-2-(oxan-4-yl)guanidine
SMILESN/C(=N\C1CCOCC1)NC1CC1
InChIInChI=1S/C9H17N3O/c10-9(11-7-1-2-7)12-8-3-5-13-6-4-8/h7-8H,1-6H2,(H3,10,11,12)
InChIKeyRWPTYVCTQCKZRY-UHFFFAOYSA-N
XLogP0.23
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
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-(oxan-4-yl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(oxan-4-yl)guanidine (CID 62361761) is 1-cyclopropyl-2-(oxan-4-yl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(oxan-4-yl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(oxan-4-yl)guanidine is N/C(=N\C1CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(oxan-4-yl)guanidine?
The InChIKey is RWPTYVCTQCKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(11-7-1-2-7)12-8-3-5-13-6-4-8/h7-8H,1-6H2,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(oxan-4-yl)guanidine?
1-cyclopropyl-2-(oxan-4-yl)guanidine has a molecular weight of 183.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(oxan-4-yl)guanidine is sourced from PubChem (CID 62361761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).