3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal

C15H24N2O — CID 91333415

IUPAC3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal
SMILESCC=C/C(C)=N/C1CCCCC1/N=C(\C)CC=O
InChIInChI=1S/C15H24N2O/c1-4-7-12(2)16-14-8-5-6-9-15(14)17-13(3)10-11-18/h4,7,11,14-15H,5-6,8-10H2,1-3H3/b7-4?,16-12+,17-13+
InChIKeyWZCIMJVNRJELOJ-FGSHXHJTSA-N
MW248.37 g/mol
LogP3.38
Rot. Bonds5

About 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal

3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal (PubChem CID 91333415) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal.

Molecular Properties

Compound Name3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal
PubChem CID91333415
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal
SMILESCC=C/C(C)=N/C1CCCCC1/N=C(\C)CC=O
InChIInChI=1S/C15H24N2O/c1-4-7-12(2)16-14-8-5-6-9-15(14)17-13(3)10-11-18/h4,7,11,14-15H,5-6,8-10H2,1-3H3/b7-4?,16-12+,17-13+
InChIKeyWZCIMJVNRJELOJ-FGSHXHJTSA-N
XLogP3.38
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(oxan-2-yl)pent-3-en-2-imine
CID 123477461
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
λ2-plumbane;3-oxobutanal
CID 173391243
chromium;3-oxobutanal
CID 174605228
1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
[(1S)-2-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenylamino]cyclohexyl]methanol
CID 143638808
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
5-cyclopentyl-4-methylpent-4-enal
CID 78076892
carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)
CID 162270610
3-cyclopropylbut-3-enal
CID 117269166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal?
The IUPAC name of 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal (CID 91333415) is 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal.
What is the SMILES notation for 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal?
The canonical SMILES for 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal is CC=C/C(C)=N/C1CCCCC1/N=C(\C)CC=O.
What is the InChIKey of 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal?
The InChIKey is WZCIMJVNRJELOJ-FGSHXHJTSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-7-12(2)16-14-8-5-6-9-15(14)17-13(3)10-11-18/h4,7,11,14-15H,5-6,8-10H2,1-3H3/b7-4?,16-12+,17-13+.
What are the key properties of 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal?
3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal has a molecular weight of 248.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pent-3-en-2-ylideneamino)cyclohexyl]iminobutanal is sourced from PubChem (CID 91333415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).