1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine

C16H23N — CID 146662317

IUPAC1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine
SMILESC/C(=N\[C@H](C)C1CC=CCC1)C1=CCCC=C1
InChIInChI=1S/C16H23N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5,7,11-13,15H,4,6,8-10H2,1-2H3/b17-14+/t13-,15?/m1/s1
InChIKeyNWSXUWNBFVOHFM-FEZKZBORSA-N
MW229.37 g/mol
LogP4.47
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine

1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine (PubChem CID 146662317) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine
PubChem CID146662317
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine
SMILESC/C(=N\[C@H](C)C1CC=CCC1)C1=CCCC=C1
InChIInChI=1S/C16H23N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5,7,11-13,15H,4,6,8-10H2,1-2H3/b17-14+/t13-,15?/m1/s1
InChIKeyNWSXUWNBFVOHFM-FEZKZBORSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine with MolForge

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Related Compounds

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CID 66841971
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CID 123345292
2,3,4,4a-Tetrahydroquinoline
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2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
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CID 56635976
4-Methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57170989
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CID 57282707
2-methyl-3,3a-dihydro-2H-indole
CID 57683757
2-methyl-3a,7a-dihydro-3H-indole
CID 58683043
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine (CID 146662317) is 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine is C/C(=N\[C@H](C)C1CC=CCC1)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine?
The InChIKey is NWSXUWNBFVOHFM-FEZKZBORSA-N. The full InChI is InChI=1S/C16H23N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5,7,11-13,15H,4,6,8-10H2,1-2H3/b17-14+/t13-,15?/m1/s1.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine?
1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine has a molecular weight of 229.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-[(1R)-1-cyclohex-3-en-1-ylethyl]ethanimine is sourced from PubChem (CID 146662317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).