N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane

C16H29N — CID 91128168

IUPACN-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
SMILESC=N/C=C\C=C1C=CC=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-11-9-5-8-10-6-3-2-4-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b9-5-,10-8?;;;
InChIKeyFYELJMHABUKHRI-RUQSGJGPSA-N
MW235.41 g/mol
LogP5.72
Rot. Bonds2

About N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane

N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane (PubChem CID 91128168) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane.

Molecular Properties

Compound NameN-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
PubChem CID91128168
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
SMILESC=N/C=C\C=C1C=CC=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-11-9-5-8-10-6-3-2-4-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b9-5-,10-8?;;;
InChIKeyFYELJMHABUKHRI-RUQSGJGPSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
CID 142875667
1-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]-4-[4-[(Z,3Z)-3-(5-methylidenecyclopent-2-en-1-ylidene)prop-1-enyl]phenyl]benzene
CID 145302903
2-(5-cyclohexa-2,4-dien-1-ylidenepenta-1,3-dien-2-ylsulfonyl)acetic acid
CID 72610306
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
(Z,2E)-2-cyclohexa-2,4-dien-1-ylidene-N-(methylideneamino)ethanimine;ethane;N-(3-ethenyl-4-pyridinyl)methanimine
CID 167523117
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine oxide
CID 59876417
N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
CID 163890974
N-[(1Z)-buta-1,3-dienyl]methanimine;ethane
CID 90844285
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane?
The IUPAC name of N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane (CID 91128168) is N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane.
What is the SMILES notation for N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane?
The canonical SMILES for N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane is C=N/C=C\C=C1C=CC=CC1.CC.CC.CC.
What is the InChIKey of N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane?
The InChIKey is FYELJMHABUKHRI-RUQSGJGPSA-N. The full InChI is InChI=1S/C10H11N.3C2H6/c1-11-9-5-8-10-6-3-2-4-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b9-5-,10-8?;;;.
What are the key properties of N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane?
N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane has a molecular weight of 235.41 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane is sourced from PubChem (CID 91128168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).