(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine

C18H26N2 — CID 129178399

IUPAC(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine
SMILESC=NC1=C(/N=C/C(C)(C)/C=C\C(C)=C/C)C=CCC1C
InChIInChI=1S/C18H26N2/c1-7-14(2)11-12-18(4,5)13-20-16-10-8-9-15(3)17(16)19-6/h7-8,10-13,15H,6,9H2,1-5H3/b12-11-,14-7-,20-13+
InChIKeyCVPJMDSJYRPWAO-XNGKLDFKSA-N
MW270.42 g/mol
LogP5.11
Rot. Bonds5

About (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine

(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine (PubChem CID 129178399) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine
PubChem CID129178399
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine
SMILESC=NC1=C(/N=C/C(C)(C)/C=C\C(C)=C/C)C=CCC1C
InChIInChI=1S/C18H26N2/c1-7-14(2)11-12-18(4,5)13-20-16-10-8-9-15(3)17(16)19-6/h7-8,10-13,15H,6,9H2,1-5H3/b12-11-,14-7-,20-13+
InChIKeyCVPJMDSJYRPWAO-XNGKLDFKSA-N
XLogP5.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.11
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 (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine?
The IUPAC name of (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine (CID 129178399) is (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine?
The canonical SMILES for (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine is C=NC1=C(/N=C/C(C)(C)/C=C\C(C)=C/C)C=CCC1C.
What is the InChIKey of (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine?
The InChIKey is CVPJMDSJYRPWAO-XNGKLDFKSA-N. The full InChI is InChI=1S/C18H26N2/c1-7-14(2)11-12-18(4,5)13-20-16-10-8-9-15(3)17(16)19-6/h7-8,10-13,15H,6,9H2,1-5H3/b12-11-,14-7-,20-13+.
What are the key properties of (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine?
(3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine has a molecular weight of 270.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,2,5-trimethyl-N-[3-methyl-2-(methylideneamino)cyclohexa-1,5-dien-1-yl]hepta-3,5-dien-1-imine is sourced from PubChem (CID 129178399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).