2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine

C17H28N2 — CID 123764237

IUPAC2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC=C1C/C(C)=N/CC(C)=CC(C)CC
InChIInChI=1S/C17H28N2/c1-5-13(2)10-14(3)12-19-15(4)11-16-8-6-7-9-17(16)18/h8,10,13,18H,5-7,9,11-12H2,1-4H3/b14-10?,18-17+,19-15+
InChIKeyDEXLDWDQOIEYTR-AOKFJTDQSA-N
MW260.42 g/mol
LogP4.96
Rot. Bonds6

About 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine

2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine (PubChem CID 123764237) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine
PubChem CID123764237
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC=C1C/C(C)=N/CC(C)=CC(C)CC
InChIInChI=1S/C17H28N2/c1-5-13(2)10-14(3)12-19-15(4)11-16-8-6-7-9-17(16)18/h8,10,13,18H,5-7,9,11-12H2,1-4H3/b14-10?,18-17+,19-15+
InChIKeyDEXLDWDQOIEYTR-AOKFJTDQSA-N
XLogP4.96
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine
CID 123185703
(3Z)-9-methyl-2-N-(4-methyldeca-2,3,8-trienyl)nonadeca-3,9,18-triene-2,14-diimine
CID 123267723
(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
CID 123742269
2-butyl-N-prop-2-enylcyclohex-2-en-1-imine
CID 123816553
1-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbutane-1,4-diimine
CID 134443678
3-Methyl-1-(2-methyl-3,4-dihydropyridin-5-yl)but-2-en-1-imine
CID 135254531
(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine
CID 138565184
5-methyl-4-undecyl-2H-pyrrole
CID 140967566
2-Ethyl-4-hexyl-2,8-dimethylquinolin-6-imine
CID 171819600
2,4,8-Triethyl-2-methylquinolin-6-imine
CID 171819673
Ethane;2,4,8-triethyl-2-methylquinolin-6-imine
CID 172324136

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine?
The IUPAC name of 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine (CID 123764237) is 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine.
What is the SMILES notation for 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine?
The canonical SMILES for 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine is [H]/N=C1\CCCC=C1C/C(C)=N/CC(C)=CC(C)CC.
What is the InChIKey of 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine?
The InChIKey is DEXLDWDQOIEYTR-AOKFJTDQSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-13(2)10-14(3)12-19-15(4)11-16-8-6-7-9-17(16)18/h8,10,13,18H,5-7,9,11-12H2,1-4H3/b14-10?,18-17+,19-15+.
What are the key properties of 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine?
2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine has a molecular weight of 260.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 123764237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).