N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine

C24H30N2 — CID 170073666

IUPACN-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine
SMILESC=C/C=C\C(=C/C)C(=C\C)\N=C1/C=C(C(=C)N2CCCCC2)C=CC1=C
InChIInChI=1S/C24H30N2/c1-6-9-13-21(7-2)23(8-3)25-24-18-22(15-14-19(24)4)20(5)26-16-11-10-12-17-26/h6-9,13-15,18H,1,4-5,10-12,16-17H2,2-3H3/b13-9-,21-7+,23-8-,25-24+
InChIKeyMQRSCNYDYZHZJS-LFSLRRBGSA-N
MW346.52 g/mol
LogP6.07
Rot. Bonds6

About N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine

N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine (PubChem CID 170073666) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine
PubChem CID170073666
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC NameN-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine
SMILESC=C/C=C\C(=C/C)C(=C\C)\N=C1/C=C(C(=C)N2CCCCC2)C=CC1=C
InChIInChI=1S/C24H30N2/c1-6-9-13-21(7-2)23(8-3)25-24-18-22(15-14-19(24)4)20(5)26-16-11-10-12-17-26/h6-9,13-15,18H,1,4-5,10-12,16-17H2,2-3H3/b13-9-,21-7+,23-8-,25-24+
InChIKeyMQRSCNYDYZHZJS-LFSLRRBGSA-N
XLogP6.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine (CID 170073666) is N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine is C=C/C=C\C(=C/C)C(=C\C)\N=C1/C=C(C(=C)N2CCCCC2)C=CC1=C.
What is the InChIKey of N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is MQRSCNYDYZHZJS-LFSLRRBGSA-N. The full InChI is InChI=1S/C24H30N2/c1-6-9-13-21(7-2)23(8-3)25-24-18-22(15-14-19(24)4)20(5)26-16-11-10-12-17-26/h6-9,13-15,18H,1,4-5,10-12,16-17H2,2-3H3/b13-9-,21-7+,23-8-,25-24+.
What are the key properties of N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine?
N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 346.52 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]-6-methylidene-3-(1-piperidin-1-ylethenyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 170073666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).