(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine

C23H29NO — CID 121373917

IUPAC(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/C2=CCCCC2)cc1
InChIInChI=1S/C23H29NO/c1-19(17-18-24)7-6-10-21(12-11-20-8-4-3-5-9-20)22-13-15-23(25-2)16-14-22/h6-8,10-17H,3-5,9,18,24H2,1-2H3/b7-6+,12-11+,19-17+,21-10-
InChIKeyPRZVTXWTYJEYIG-JQPJPVIESA-N
MW335.49 g/mol
LogP5.60
Rot. Bonds7

About (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine

(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine (PubChem CID 121373917) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine
PubChem CID121373917
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine
SMILESCOc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/C2=CCCCC2)cc1
InChIInChI=1S/C23H29NO/c1-19(17-18-24)7-6-10-21(12-11-20-8-4-3-5-9-20)22-13-15-23(25-2)16-14-22/h6-8,10-17H,3-5,9,18,24H2,1-2H3/b7-6+,12-11+,19-17+,21-10-
InChIKeyPRZVTXWTYJEYIG-JQPJPVIESA-N
XLogP5.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine
CID 121373949
[4-[(1E,3Z,5E,7E)-3-(4-methoxyphenyl)-7-methyl-9-oxonona-1,3,5,7-tetraenyl]phenyl] acetate
CID 121364402
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
6-[(3E,5E,7E)-2,2,7-trimethyldeca-3,5,7-trien-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 158225433
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene
CID 10563745
3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
CID 70063613
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 18276441
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
(4E,6Z)-7-(4-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
CID 173292935
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine (CID 121373917) is (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine is COc1ccc(C(=C\C=C\C(C)=C\CN)/C=C/C2=CCCCC2)cc1.
What is the InChIKey of (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is PRZVTXWTYJEYIG-JQPJPVIESA-N. The full InChI is InChI=1S/C23H29NO/c1-19(17-18-24)7-6-10-21(12-11-20-8-4-3-5-9-20)22-13-15-23(25-2)16-14-22/h6-8,10-17H,3-5,9,18,24H2,1-2H3/b7-6+,12-11+,19-17+,21-10-.
What are the key properties of (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine?
(2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 335.49 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-9-(cyclohexen-1-yl)-7-(4-methoxyphenyl)-3-methylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).