N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine

C11H17N — CID 163810953

IUPACN-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine
SMILESCC(C)=C/C=N/C1C=CCCC1
InChIInChI=1S/C11H17N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3/b12-9+
InChIKeyNNEPDSGPDUNYCI-FMIVXFBMSA-N
MW163.26 g/mol
LogP3.13
Rot. Bonds2

About N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine

N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine (PubChem CID 163810953) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine
PubChem CID163810953
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine
SMILESCC(C)=C/C=N/C1C=CCCC1
InChIInChI=1S/C11H17N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3/b12-9+
InChIKeyNNEPDSGPDUNYCI-FMIVXFBMSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.13
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'}

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Related Compounds

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(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
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3-Butyl-6-methyl-2,5-dihydropyridine
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3,5-Diethyl-2-propyl-2,5-dihydropyridine
CID 57118688
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine?
The IUPAC name of N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine (CID 163810953) is N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine?
The canonical SMILES for N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine is CC(C)=C/C=N/C1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine?
The InChIKey is NNEPDSGPDUNYCI-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8-9,11H,3,5,7H2,1-2H3/b12-9+.
What are the key properties of N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine?
N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-3-methylbut-2-en-1-imine is sourced from PubChem (CID 163810953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).