5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine

C16H27N — CID 123236878

IUPAC5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine
SMILESCC=CC(=C(C)C(C)=C/C=N/CC)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-10-15(16(5,6)7)14(4)13(3)11-12-17-9-2/h8,10-12H,9H2,1-7H3/b10-8?,13-11?,15-14?,17-12+
InChIKeyNSAFVKHWILQZIR-AFVCQQLZSA-N
MW233.40 g/mol
LogP4.96
Rot. Bonds4

About 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine

5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine (PubChem CID 123236878) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine
PubChem CID123236878
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine
SMILESCC=CC(=C(C)C(C)=C/C=N/CC)C(C)(C)C
InChIInChI=1S/C16H27N/c1-8-10-15(16(5,6)7)14(4)13(3)11-12-17-9-2/h8,10-12H,9H2,1-7H3/b10-8?,13-11?,15-14?,17-12+
InChIKeyNSAFVKHWILQZIR-AFVCQQLZSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
(2E,4Z)-3-(2-methylbutan-2-yl)-N-(trifluoromethyl)hepta-2,4-dien-1-imine
CID 162545582
(2Z,6E)-2,7-ditert-butyl-N-[(2E,3E)-2-ethylidene-4-fluoro-3-methylhexa-3,5-dienyl]nona-2,6,8-trien-1-imine
CID 176556879
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
5-tert-butyl-2H-pyridin-2-ide;rutherfordium
CID 59879073
(2E,4E,6E,8E)-N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 60138482
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
N-butyl-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-imine
CID 72660187
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193
(4E,7Z)-N,2,2,5-tetramethyl-6-methylidenedeca-4,7,9-trien-3-imine
CID 87946120

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine?
The IUPAC name of 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine (CID 123236878) is 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine.
What is the SMILES notation for 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine?
The canonical SMILES for 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine is CC=CC(=C(C)C(C)=C/C=N/CC)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine?
The InChIKey is NSAFVKHWILQZIR-AFVCQQLZSA-N. The full InChI is InChI=1S/C16H27N/c1-8-10-15(16(5,6)7)14(4)13(3)11-12-17-9-2/h8,10-12H,9H2,1-7H3/b10-8?,13-11?,15-14?,17-12+.
What are the key properties of 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine?
5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine has a molecular weight of 233.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-3,4-dimethylocta-2,4,6-trien-1-imine is sourced from PubChem (CID 123236878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).