(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine

C17H31N — CID 90689047

IUPAC(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine
SMILESCCC/C=C/C=N/C1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N/c1-6-7-8-9-14-18-17(5)12-10-15(11-13-17)16(2,3)4/h8-9,14-15H,6-7,10-13H2,1-5H3/b9-8+,18-14+
InChIKeySHHQOWDVFBAOJH-HAPMQHLFSA-N
MW249.44 g/mol
LogP5.41
Rot. Bonds4

About (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine

(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine (PubChem CID 90689047) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine
PubChem CID90689047
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine
SMILESCCC/C=C/C=N/C1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H31N/c1-6-7-8-9-14-18-17(5)12-10-15(11-13-17)16(2,3)4/h8-9,14-15H,6-7,10-13H2,1-5H3/b9-8+,18-14+
InChIKeySHHQOWDVFBAOJH-HAPMQHLFSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.41
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

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2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
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CID 57272584

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine?
The IUPAC name of (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine (CID 90689047) is (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine.
What is the SMILES notation for (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine?
The canonical SMILES for (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine is CCC/C=C/C=N/C1(C)CCC(C(C)(C)C)CC1.
What is the InChIKey of (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine?
The InChIKey is SHHQOWDVFBAOJH-HAPMQHLFSA-N. The full InChI is InChI=1S/C17H31N/c1-6-7-8-9-14-18-17(5)12-10-15(11-13-17)16(2,3)4/h8-9,14-15H,6-7,10-13H2,1-5H3/b9-8+,18-14+.
What are the key properties of (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine?
(E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-tert-butyl-1-methylcyclohexyl)hex-2-en-1-imine is sourced from PubChem (CID 90689047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).