1-(2-aminocyclohexyl)ethanone;ethane

C10H21NO — CID 176999507

IUPAC1-(2-aminocyclohexyl)ethanone;ethane
SMILESCC.CC(=O)C1CCCCC1N
InChIInChI=1S/C8H15NO.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-2/h7-8H,2-5,9H2,1H3;1-2H3
InChIKeyVHYZCVWDGPXDGU-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-aminocyclohexyl)ethanone;ethane

1-(2-aminocyclohexyl)ethanone;ethane (PubChem CID 176999507) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)ethanone;ethane.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)ethanone;ethane
PubChem CID176999507
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2-aminocyclohexyl)ethanone;ethane
SMILESCC.CC(=O)C1CCCCC1N
InChIInChI=1S/C8H15NO.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-2/h7-8H,2-5,9H2,1H3;1-2H3
InChIKeyVHYZCVWDGPXDGU-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
1-(2-aminocycloheptyl)-2,2-dimethylpropan-1-one
CID 116595247
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)ethanone;ethane?
The IUPAC name of 1-(2-aminocyclohexyl)ethanone;ethane (CID 176999507) is 1-(2-aminocyclohexyl)ethanone;ethane.
What is the SMILES notation for 1-(2-aminocyclohexyl)ethanone;ethane?
The canonical SMILES for 1-(2-aminocyclohexyl)ethanone;ethane is CC.CC(=O)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)ethanone;ethane?
The InChIKey is VHYZCVWDGPXDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-6(10)7-4-2-3-5-8(7)9;1-2/h7-8H,2-5,9H2,1H3;1-2H3.
What are the key properties of 1-(2-aminocyclohexyl)ethanone;ethane?
1-(2-aminocyclohexyl)ethanone;ethane has a molecular weight of 171.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)ethanone;ethane is sourced from PubChem (CID 176999507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).