1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one

C10H19NO — CID 67889345

IUPAC1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one
SMILESCC[C@@H]1C[C@]1(NC)C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-5-8-6-10(8,11-4)9(12)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-,10-/m1/s1
InChIKeyAPJWEDRLQWCCJI-PSASIEDQSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds4

About 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one

1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one (PubChem CID 67889345) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one
PubChem CID67889345
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one
SMILESCC[C@@H]1C[C@]1(NC)C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-5-8-6-10(8,11-4)9(12)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-,10-/m1/s1
InChIKeyAPJWEDRLQWCCJI-PSASIEDQSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one 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 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one (CID 67889345) is 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one is CC[C@@H]1C[C@]1(NC)C(=O)C(C)C.
What is the InChIKey of 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one?
The InChIKey is APJWEDRLQWCCJI-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8-6-10(8,11-4)9(12)7(2)3/h7-8,11H,5-6H2,1-4H3/t8-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one?
1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-ethyl-1-(methylamino)cyclopropyl]-2-methylpropan-1-one is sourced from PubChem (CID 67889345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).