2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone

C15H21NO — CID 116588801

IUPAC2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
SMILESCC(C)(C)NCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)16-10-14(17)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3
InChIKeyJBPDWYAJEKVURA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds4

About 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone

2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone (PubChem CID 116588801) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
PubChem CID116588801
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
SMILESCC(C)(C)NCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)16-10-14(17)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3
InChIKeyJBPDWYAJEKVURA-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
CID 116574742
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone (CID 116588801) is 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone is CC(C)(C)NCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is JBPDWYAJEKVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)16-10-14(17)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone?
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 116588801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).