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

C10H19N3O — CID 62364758

IUPAC2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine
SMILESCN(/C(N)=N/C1CC1)C1CCOCC1
InChIInChI=1S/C10H19N3O/c1-13(9-4-6-14-7-5-9)10(11)12-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyHMWVXAWVNHRMDU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.57
Rot. Bonds2

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

2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine (PubChem CID 62364758) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine
PubChem CID62364758
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine
SMILESCN(/C(N)=N/C1CC1)C1CCOCC1
InChIInChI=1S/C10H19N3O/c1-13(9-4-6-14-7-5-9)10(11)12-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyHMWVXAWVNHRMDU-UHFFFAOYSA-N
XLogP0.57
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine (CID 62364758) is 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine is CN(/C(N)=N/C1CC1)C1CCOCC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine?
The InChIKey is HMWVXAWVNHRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13(9-4-6-14-7-5-9)10(11)12-8-2-3-8/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine?
2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine has a molecular weight of 197.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 62364758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).