(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine

C18H24N2 — CID 142584174

IUPAC(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
SMILESC=C(C)N(C)C(=C\C)/C(/C=c1/cc(C)ncc1=C)=C/C
InChIInChI=1S/C18H24N2/c1-8-16(18(9-2)20(7)13(3)4)11-17-10-15(6)19-12-14(17)5/h8-12H,3,5H2,1-2,4,6-7H3/b16-8-,17-11-,18-9-
InChIKeyYAKMQHYUWUQMOU-ZUEWBUIUSA-N
MW268.40 g/mol
LogP2.90
Rot. Bonds4

About (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine

(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine (PubChem CID 142584174) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
PubChem CID142584174
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
SMILESC=C(C)N(C)C(=C\C)/C(/C=c1/cc(C)ncc1=C)=C/C
InChIInChI=1S/C18H24N2/c1-8-16(18(9-2)20(7)13(3)4)11-17-10-15(6)19-12-14(17)5/h8-12H,3,5H2,1-2,4,6-7H3/b16-8-,17-11-,18-9-
InChIKeyYAKMQHYUWUQMOU-ZUEWBUIUSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-5,7a-dihydropyrrolo[2,3-c]pyridine
CID 54026924
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
CID 90994728
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
CID 91202514
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061
But-2-en-2-yl-(cyclohexa-1,5-dien-1-ylmethylidene)-methylazanium
CID 91801978
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
3-Ethylidene-1-methyl-2-propylideneazet-1-ium
CID 123832679
N,N-dimethyl-3-methylidene-2H-pyridin-5-amine
CID 123836742
(4-Ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
CID 123849884
2-methyl-N-[2-methyl-1-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]prop-2-en-1-imine
CID 123894399

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine (CID 142584174) is (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine is C=C(C)N(C)C(=C\C)/C(/C=c1/cc(C)ncc1=C)=C/C.
What is the InChIKey of (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine?
The InChIKey is YAKMQHYUWUQMOU-ZUEWBUIUSA-N. The full InChI is InChI=1S/C18H24N2/c1-8-16(18(9-2)20(7)13(3)4)11-17-10-15(6)19-12-14(17)5/h8-12H,3,5H2,1-2,4,6-7H3/b16-8-,17-11-,18-9-.
What are the key properties of (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine?
(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine has a molecular weight of 268.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine is sourced from PubChem (CID 142584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).