2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one

C14H25NO — CID 116558390

IUPAC2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
SMILESCCC1CCCCC1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H25NO/c1-3-10-6-4-5-7-12(10)13(16)14(2,15)11-8-9-11/h10-12H,3-9,15H2,1-2H3
InChIKeyXMZCQENCTXSSRH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds4

About 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one

2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one (PubChem CID 116558390) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
PubChem CID116558390
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
SMILESCCC1CCCCC1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C14H25NO/c1-3-10-6-4-5-7-12(10)13(16)14(2,15)11-8-9-11/h10-12H,3-9,15H2,1-2H3
InChIKeyXMZCQENCTXSSRH-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044965
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
carbonic acid;1,2-diethylcyclohexane
CID 70579518
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
(2-ethylcyclohexyl)-(thiolan-3-yl)methanone
CID 105102324
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one (CID 116558390) is 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one is CCC1CCCCC1C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one?
The InChIKey is XMZCQENCTXSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-10-6-4-5-7-12(10)13(16)14(2,15)11-8-9-11/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one?
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one is sourced from PubChem (CID 116558390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).