(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane

C19H32N2O — CID 143053425

IUPAC(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane
SMILESC/N=C(\C=C(/C)C(C)(C)C)CC(=O)NC1=CCCC=C1.CC
InChIInChI=1S/C17H26N2O.C2H6/c1-13(17(2,3)4)11-15(18-5)12-16(20)19-14-9-7-6-8-10-14;1-2/h7,9-11H,6,8,12H2,1-5H3,(H,19,20);1-2H3/b13-11+,18-15+;
InChIKeyCZYDYNWHTXYQLI-KXASSPAMSA-N
MW304.48 g/mol
LogP4.82
Rot. Bonds4

About (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane

(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane (PubChem CID 143053425) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane.

Molecular Properties

Compound Name(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane
PubChem CID143053425
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane
SMILESC/N=C(\C=C(/C)C(C)(C)C)CC(=O)NC1=CCCC=C1.CC
InChIInChI=1S/C17H26N2O.C2H6/c1-13(17(2,3)4)11-15(18-5)12-16(20)19-14-9-7-6-8-10-14;1-2/h7,9-11H,6,8,12H2,1-5H3,(H,19,20);1-2H3/b13-11+,18-15+;
InChIKeyCZYDYNWHTXYQLI-KXASSPAMSA-N
XLogP4.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane?
The IUPAC name of (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane (CID 143053425) is (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane.
What is the SMILES notation for (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane?
The canonical SMILES for (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane is C/N=C(\C=C(/C)C(C)(C)C)CC(=O)NC1=CCCC=C1.CC.
What is the InChIKey of (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane?
The InChIKey is CZYDYNWHTXYQLI-KXASSPAMSA-N. The full InChI is InChI=1S/C17H26N2O.C2H6/c1-13(17(2,3)4)11-15(18-5)12-16(20)19-14-9-7-6-8-10-14;1-2/h7,9-11H,6,8,12H2,1-5H3,(H,19,20);1-2H3/b13-11+,18-15+;.
What are the key properties of (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane?
(E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane has a molecular weight of 304.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexa-1,5-dien-1-yl-5,6,6-trimethyl-3-methyliminohept-4-enamide;ethane is sourced from PubChem (CID 143053425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).