(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine

C24H29N — CID 89174666

IUPAC(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine
SMILESC=C(C)C(=CC(=C\C=c1\ccccc1=C)/C(C)=C\CN)C(=C)/C=C\C
InChIInChI=1S/C24H29N/c1-7-10-21(6)24(18(2)3)17-23(20(5)15-16-25)14-13-22-12-9-8-11-19(22)4/h7-15,17H,2,4,6,16,25H2,1,3,5H3/b10-7-,20-15-,22-13-,23-14+,24-17-
InChIKeyNZDBXEJNLHFUBJ-DRUSELLDSA-N
MW331.50 g/mol
LogP4.34
Rot. Bonds7

About (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine

(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine (PubChem CID 89174666) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine
PubChem CID89174666
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine
SMILESC=C(C)C(=CC(=C\C=c1\ccccc1=C)/C(C)=C\CN)C(=C)/C=C\C
InChIInChI=1S/C24H29N/c1-7-10-21(6)24(18(2)3)17-23(20(5)15-16-25)14-13-22-12-9-8-11-19(22)4/h7-15,17H,2,4,6,16,25H2,1,3,5H3/b10-7-,20-15-,22-13-,23-14+,24-17-
InChIKeyNZDBXEJNLHFUBJ-DRUSELLDSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine?
The IUPAC name of (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine (CID 89174666) is (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine.
What is the SMILES notation for (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine?
The canonical SMILES for (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine is C=C(C)C(=CC(=C\C=c1\ccccc1=C)/C(C)=C\CN)C(=C)/C=C\C.
What is the InChIKey of (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine?
The InChIKey is NZDBXEJNLHFUBJ-DRUSELLDSA-N. The full InChI is InChI=1S/C24H29N/c1-7-10-21(6)24(18(2)3)17-23(20(5)15-16-25)14-13-22-12-9-8-11-19(22)4/h7-15,17H,2,4,6,16,25H2,1,3,5H3/b10-7-,20-15-,22-13-,23-14+,24-17-.
What are the key properties of (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine?
(2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine has a molecular weight of 331.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z,8Z)-3-methyl-7-methylidene-4-[(2Z)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethylidene]-6-prop-1-en-2-yldeca-2,5,8-trien-1-amine is sourced from PubChem (CID 89174666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).