(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine

C12H19NO — CID 123382483

IUPAC(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine
SMILES[H]/N=C1\C=C/CCC/C(OCC(C)C)=C\1
InChIInChI=1S/C12H19NO/c1-10(2)9-14-12-7-5-3-4-6-11(13)8-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3/b6-4-,12-8+,13-11+
InChIKeyJPXRTNBKRMURDD-LJVGPELUSA-N
MW193.29 g/mol
LogP3.30
Rot. Bonds3

About (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine

(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine (PubChem CID 123382483) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine.

Molecular Properties

Compound Name(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine
PubChem CID123382483
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine
SMILES[H]/N=C1\C=C/CCC/C(OCC(C)C)=C\1
InChIInChI=1S/C12H19NO/c1-10(2)9-14-12-7-5-3-4-6-11(13)8-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3/b6-4-,12-8+,13-11+
InChIKeyJPXRTNBKRMURDD-LJVGPELUSA-N
XLogP3.30
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123216771
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CID 12917225
6-(2-methylpropoxy)spiro[2.5]oct-6-en-8-one
CID 162724285
8-(2-methylpropoxy)-1,4-dithiaspiro[4.5]dec-7-en-6-one
CID 10244259
2-(2-methylpropoxy)cyclohexene-1-carbonitrile
CID 121218604
cyclopenten-1-yloxymethylphosphane
CID 57292067
3-butylidenecyclohexene
CID 54334793
(2R)-4-(2-methylpropoxy)-2-[(E)-4-[(1R)-3-(2-methylpropoxy)-6-oxocyclohex-2-en-1-yl]but-2-enyl]cyclohex-3-en-1-one
CID 7103267
1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
CID 142138420
2,3-diethyl-5-methyl-4-(2-methylpropoxy)phenol
CID 162375124
3-(2-methylpropoxy)-5-phenylcyclohex-2-en-1-one
CID 44725204
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775

Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine?
The IUPAC name of (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine (CID 123382483) is (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine.
What is the SMILES notation for (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine?
The canonical SMILES for (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine is [H]/N=C1\C=C/CCC/C(OCC(C)C)=C\1.
What is the InChIKey of (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine?
The InChIKey is JPXRTNBKRMURDD-LJVGPELUSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)9-14-12-7-5-3-4-6-11(13)8-12/h4,6,8,10,13H,3,5,7,9H2,1-2H3/b6-4-,12-8+,13-11+.
What are the key properties of (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine?
(2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine has a molecular weight of 193.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-3-(2-methylpropoxy)cycloocta-2,7-dien-1-imine is sourced from PubChem (CID 123382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).