N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane

C16H27N — CID 143345765

IUPACN-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
SMILESC/C=N/C1=C(\CC)C/C=C\C(CC)=CC1.CC
InChIInChI=1S/C14H21N.C2H6/c1-4-12-8-7-9-13(5-2)14(11-10-12)15-6-3;1-2/h6-8,10H,4-5,9,11H2,1-3H3;1-2H3/b8-7-,12-10?,14-13+,15-6+;
InChIKeyPNLPDSZOWOLZGW-LPXHXLDFSA-N
MW233.40 g/mol
LogP5.45
Rot. Bonds3

About N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane

N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane (PubChem CID 143345765) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane.

Molecular Properties

Compound NameN-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
PubChem CID143345765
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
SMILESC/C=N/C1=C(\CC)C/C=C\C(CC)=CC1.CC
InChIInChI=1S/C14H21N.C2H6/c1-4-12-8-7-9-13(5-2)14(11-10-12)15-6-3;1-2/h6-8,10H,4-5,9,11H2,1-3H3;1-2H3/b8-7-,12-10?,14-13+,15-6+;
InChIKeyPNLPDSZOWOLZGW-LPXHXLDFSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane with MolForge

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Related Compounds

1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
CID 145053129
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
N-cyclopenta-1,4-dien-1-ylethanimine
CID 123152583
N-(7-ethylcyclohepta-1,3,6-trien-1-yl)ethanimine
CID 178128673
N-cyclohexa-1,5-dien-1-ylethanimine
CID 123548682
ethane;6-ethyl-2-methyl-3,8-dihydrocyclohepta[b]pyrrole
CID 143345371
1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]
CID 153378817
5-ethyl-6-(ethylideneamino)-3,4-dihydro-1H-pyridin-2-one
CID 123789983
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
3-[(4Z,6Z)-6-ethylcycloocta-1,4,6-trien-1-yl]-N-methylaniline
CID 143239872

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane?
The IUPAC name of N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane (CID 143345765) is N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane.
What is the SMILES notation for N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane?
The canonical SMILES for N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane is C/C=N/C1=C(\CC)C/C=C\C(CC)=CC1.CC.
What is the InChIKey of N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane?
The InChIKey is PNLPDSZOWOLZGW-LPXHXLDFSA-N. The full InChI is InChI=1S/C14H21N.C2H6/c1-4-12-8-7-9-13(5-2)14(11-10-12)15-6-3;1-2/h6-8,10H,4-5,9,11H2,1-3H3;1-2H3/b8-7-,12-10?,14-13+,15-6+;.
What are the key properties of N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane?
N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane has a molecular weight of 233.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane is sourced from PubChem (CID 143345765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).