(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one

C17H29NO — CID 134533676

IUPAC(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one
SMILESCC(=O)C(/C=C/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H29NO/c1-14(19)17(18-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h12-13,15-18H,2-11H2,1H3/b13-12+
InChIKeyAAJULIYPQZSSFN-OUKQBFOZSA-N
MW263.42 g/mol
LogP4.00
Rot. Bonds5

About (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one

(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one (PubChem CID 134533676) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one
PubChem CID134533676
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one
SMILESCC(=O)C(/C=C/C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H29NO/c1-14(19)17(18-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h12-13,15-18H,2-11H2,1H3/b13-12+
InChIKeyAAJULIYPQZSSFN-OUKQBFOZSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.00
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-(3,6-Dimethylcyclohexen-1-yl)butan-2-ylamino]propan-2-one
CID 70993166
(3R)-3-(cyclohept-2-en-1-ylmethylamino)-4-methylpentan-2-one
CID 118964508
1-(2,6-Dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone
CID 138509765
Ethane;1-(8-methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-yl)propan-1-one;molecular hydrogen
CID 172565851
(E,4S)-8-amino-2-methyl-4-(propan-2-ylamino)oct-6-en-3-one
CID 176638470
1-(2-Cyclohexylpent-3-en-2-ylamino)-3-methylbutan-2-one;ethane;methanamine
CID 176977291
Ethane;1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one;methanamine
CID 176977303
(2S,3S,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-one
CID 15507380
1-(8-Methyl-1,2,3,4,7,8-hexahydroisoquinolin-3-yl)propan-1-one
CID 172565852
1-(2-Cyclohexylpent-3-en-2-ylamino)-3-methylbutan-2-one
CID 176977292
1-[(5-Ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one
CID 176977304

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one?
The IUPAC name of (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one (CID 134533676) is (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one.
What is the SMILES notation for (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one?
The canonical SMILES for (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one is CC(=O)C(/C=C/C1CCCCC1)NC1CCCCC1.
What is the InChIKey of (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one?
The InChIKey is AAJULIYPQZSSFN-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(19)17(18-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h12-13,15-18H,2-11H2,1H3/b13-12+.
What are the key properties of (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one?
(E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one has a molecular weight of 263.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexyl-3-(cyclohexylamino)pent-4-en-2-one is sourced from PubChem (CID 134533676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).