N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine

C17H19N — CID 144989648

IUPACN-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
SMILESC=C(/C=C/C=C\C=C/C)/N=C(\C)c1ccccc1
InChIInChI=1S/C17H19N/c1-4-5-6-7-9-12-15(2)18-16(3)17-13-10-8-11-14-17/h4-14H,2H2,1,3H3/b5-4-,7-6-,12-9+,18-16+
InChIKeyILONOQFTHSBTNP-SZZXMTDHSA-N
MW237.35 g/mol
LogP4.70
Rot. Bonds5

About N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine

N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine (PubChem CID 144989648) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
PubChem CID144989648
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
SMILESC=C(/C=C/C=C\C=C/C)/N=C(\C)c1ccccc1
InChIInChI=1S/C17H19N/c1-4-5-6-7-9-12-15(2)18-16(3)17-13-10-8-11-14-17/h4-14H,2H2,1,3H3/b5-4-,7-6-,12-9+,18-16+
InChIKeyILONOQFTHSBTNP-SZZXMTDHSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.70
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

N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
2-chloro-N'-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzenecarboximidamide
CID 142992070
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
1-phenylhexa-2,4-dien-1-one
CID 57351073
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
[(1Z,3Z,5Z)-1-bromohepta-1,3,5-trien-2-yl]benzene
CID 126693561
N-[(2Z,4E,6Z,10E,12E)-11,13-dibromo-5-methyl-8,9-dimethylidenetetradeca-2,4,6,10,12-pentaen-6-yl]-1-phenylethanimine;ethane
CID 143096728
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine?
The IUPAC name of N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine (CID 144989648) is N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine.
What is the SMILES notation for N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine?
The canonical SMILES for N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine is C=C(/C=C/C=C\C=C/C)/N=C(\C)c1ccccc1.
What is the InChIKey of N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine?
The InChIKey is ILONOQFTHSBTNP-SZZXMTDHSA-N. The full InChI is InChI=1S/C17H19N/c1-4-5-6-7-9-12-15(2)18-16(3)17-13-10-8-11-14-17/h4-14H,2H2,1,3H3/b5-4-,7-6-,12-9+,18-16+.
What are the key properties of N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine?
N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine has a molecular weight of 237.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine is sourced from PubChem (CID 144989648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).