N'-(2-methoxy-2-methylcyclopropyl)propanimidamide

C8H16N2O — CID 164659009

IUPACN'-(2-methoxy-2-methylcyclopropyl)propanimidamide
SMILESCC/C(N)=N\C1CC1(C)OC
InChIInChI=1S/C8H16N2O/c1-4-7(9)10-6-5-8(6,2)11-3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyBLWABOLZKGSEMH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.93
Rot. Bonds3

About N'-(2-methoxy-2-methylcyclopropyl)propanimidamide

N'-(2-methoxy-2-methylcyclopropyl)propanimidamide (PubChem CID 164659009) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(2-methoxy-2-methylcyclopropyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-methylcyclopropyl)propanimidamide
PubChem CID164659009
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(2-methoxy-2-methylcyclopropyl)propanimidamide
SMILESCC/C(N)=N\C1CC1(C)OC
InChIInChI=1S/C8H16N2O/c1-4-7(9)10-6-5-8(6,2)11-3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyBLWABOLZKGSEMH-UHFFFAOYSA-N
XLogP0.93
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.93
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'}

Analyze N'-(2-methoxy-2-methylcyclopropyl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-methylcyclopropyl)propanimidamide?
The IUPAC name of N'-(2-methoxy-2-methylcyclopropyl)propanimidamide (CID 164659009) is N'-(2-methoxy-2-methylcyclopropyl)propanimidamide.
What is the SMILES notation for N'-(2-methoxy-2-methylcyclopropyl)propanimidamide?
The canonical SMILES for N'-(2-methoxy-2-methylcyclopropyl)propanimidamide is CC/C(N)=N\C1CC1(C)OC.
What is the InChIKey of N'-(2-methoxy-2-methylcyclopropyl)propanimidamide?
The InChIKey is BLWABOLZKGSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-7(9)10-6-5-8(6,2)11-3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N'-(2-methoxy-2-methylcyclopropyl)propanimidamide?
N'-(2-methoxy-2-methylcyclopropyl)propanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-methylcyclopropyl)propanimidamide is sourced from PubChem (CID 164659009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).