2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one

C13H23NO — CID 116606831

IUPAC2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)C1CCCC(CC)C1
InChIInChI=1S/C13H23NO/c1-3-6-12(14)13(15)11-8-5-7-10(4-2)9-11/h3,10-12H,1,4-9,14H2,2H3
InChIKeyAVYSLQZGCWNFHB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one

2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one (PubChem CID 116606831) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
PubChem CID116606831
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)C1CCCC(CC)C1
InChIInChI=1S/C13H23NO/c1-3-6-12(14)13(15)11-8-5-7-10(4-2)9-11/h3,10-12H,1,4-9,14H2,2H3
InChIKeyAVYSLQZGCWNFHB-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate
CID 19748326
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
1-(3-ethylcyclohexyl)hex-5-en-1-amine
CID 65413113

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one (CID 116606831) is 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one is C=CCC(N)C(=O)C1CCCC(CC)C1.
What is the InChIKey of 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one?
The InChIKey is AVYSLQZGCWNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-6-12(14)13(15)11-8-5-7-10(4-2)9-11/h3,10-12H,1,4-9,14H2,2H3.
What are the key properties of 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one?
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one is sourced from PubChem (CID 116606831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).