(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene

C25H29N — CID 144892248

IUPAC(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene
SMILESC=C(C)C(=C)/C=C\C=C(C)\C(C)=N\c1ccccc1.Cc1ccccc1
InChIInChI=1S/C18H21N.C7H8/c1-14(2)15(3)10-9-11-16(4)17(5)19-18-12-7-6-8-13-18;1-7-5-3-2-4-6-7/h6-13H,1,3H2,2,4-5H3;2-6H,1H3/b10-9-,16-11+,19-17+;
InChIKeyROGBDRYEFXUBNC-LQDAMKECSA-N
MW343.51 g/mol
LogP7.41
Rot. Bonds5

About (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene

(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene (PubChem CID 144892248) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene.

Molecular Properties

Compound Name(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene
PubChem CID144892248
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene
SMILESC=C(C)C(=C)/C=C\C=C(C)\C(C)=N\c1ccccc1.Cc1ccccc1
InChIInChI=1S/C18H21N.C7H8/c1-14(2)15(3)10-9-11-16(4)17(5)19-18-12-7-6-8-13-18;1-7-5-3-2-4-6-7/h6-13H,1,3H2,2,4-5H3;2-6H,1H3/b10-9-,16-11+,19-17+;
InChIKeyROGBDRYEFXUBNC-LQDAMKECSA-N
XLogP7.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.41
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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene?
The IUPAC name of (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene (CID 144892248) is (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene.
What is the SMILES notation for (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene?
The canonical SMILES for (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene is C=C(C)C(=C)/C=C\C=C(C)\C(C)=N\c1ccccc1.Cc1ccccc1.
What is the InChIKey of (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene?
The InChIKey is ROGBDRYEFXUBNC-LQDAMKECSA-N. The full InChI is InChI=1S/C18H21N.C7H8/c1-14(2)15(3)10-9-11-16(4)17(5)19-18-12-7-6-8-13-18;1-7-5-3-2-4-6-7/h6-13H,1,3H2,2,4-5H3;2-6H,1H3/b10-9-,16-11+,19-17+;.
What are the key properties of (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene?
(3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene has a molecular weight of 343.51 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,8-dimethyl-7-methylidene-N-phenylnona-3,5,8-trien-2-imine;toluene is sourced from PubChem (CID 144892248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).