ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine

C21H31N — CID 145409324

IUPACethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine
SMILESC/C=C(\N=C(C)\C(C)=C/C=C\CCC)c1ccccc1.CC
InChIInChI=1S/C19H25N.C2H6/c1-5-7-8-10-13-16(3)17(4)20-19(6-2)18-14-11-9-12-15-18;1-2/h6,8-15H,5,7H2,1-4H3;1-2H3/b10-8-,16-13-,19-6-,20-17+;
InChIKeyXFSOBFXVENODRD-WIQARJOPSA-N
MW297.49 g/mol
LogP6.84
Rot. Bonds6

About ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine

ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine (PubChem CID 145409324) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine.

Molecular Properties

Compound Nameethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine
PubChem CID145409324
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Nameethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine
SMILESC/C=C(\N=C(C)\C(C)=C/C=C\CCC)c1ccccc1.CC
InChIInChI=1S/C19H25N.C2H6/c1-5-7-8-10-13-16(3)17(4)20-19(6-2)18-14-11-9-12-15-18;1-2/h6,8-15H,5,7H2,1-4H3;1-2H3/b10-8-,16-13-,19-6-,20-17+;
InChIKeyXFSOBFXVENODRD-WIQARJOPSA-N
XLogP6.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.84
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'}

Analyze ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine with MolForge

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Related Compounds

N,1-diphenylethan-1-imine
CID 555698
2,3-Butanediimine, N,N'-bis(4-methylphenyl)-
CID 572234
6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
N-(1-Methyl-3-phenyl-2-propenylidene)aniline
CID 5382915
2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine
CID 583311
2,3-Dichloro-6,12-diphenyl-dibenzo(b,f)(1,5)diazocine
CID 5359911
1-benzyl-N-octylpyridin-4-imine;hydrochloride
CID 14576925
(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
N-benzyl-1-phenylethanimine
CID 297338
Benzenemethanamine, N-(1-methylethylidene)-
CID 3783166
1-phenyl-N-(1-phenylethyl)ethanimine
CID 10680615
N-benzylpentan-3-imine
CID 12290020

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine?
The IUPAC name of ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine (CID 145409324) is ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine.
What is the SMILES notation for ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine?
The canonical SMILES for ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine is C/C=C(\N=C(C)\C(C)=C/C=C\CCC)c1ccccc1.CC.
What is the InChIKey of ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine?
The InChIKey is XFSOBFXVENODRD-WIQARJOPSA-N. The full InChI is InChI=1S/C19H25N.C2H6/c1-5-7-8-10-13-16(3)17(4)20-19(6-2)18-14-11-9-12-15-18;1-2/h6,8-15H,5,7H2,1-4H3;1-2H3/b10-8-,16-13-,19-6-,20-17+;.
What are the key properties of ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine?
ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine has a molecular weight of 297.49 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-3-methyl-N-[(Z)-1-phenylprop-1-enyl]nona-3,5-dien-2-imine is sourced from PubChem (CID 145409324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).