(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine

C11H14N2 — CID 121221564

IUPAC(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine
SMILESCN(C)/C=C/C=C/c1ccncc1
InChIInChI=1S/C11H14N2/c1-13(2)10-4-3-5-11-6-8-12-9-7-11/h3-10H,1-2H3/b5-3+,10-4+
InChIKeyJKQCYJQFBHHCMR-OXWOXFIQSA-N
MW174.25 g/mol
LogP2.17
Rot. Bonds3

About (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine

(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine (PubChem CID 121221564) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine
PubChem CID121221564
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine
SMILESCN(C)/C=C/C=C/c1ccncc1
InChIInChI=1S/C11H14N2/c1-13(2)10-4-3-5-11-6-8-12-9-7-11/h3-10H,1-2H3/b5-3+,10-4+
InChIKeyJKQCYJQFBHHCMR-OXWOXFIQSA-N
XLogP2.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.17
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

4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
(1E,3E)-4-pyridin-4-ylbuta-1,3-dien-1-amine
CID 121226828
4-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]pyridine
CID 11586416
(Z)-3-pyridin-4-ylprop-2-enal
CID 99864035
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 130185155
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
N-methyl-N-propyl-4-(2-pyridin-4-ylethenyl)aniline
CID 59094293
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine (CID 121221564) is (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine is CN(C)/C=C/C=C/c1ccncc1.
What is the InChIKey of (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine?
The InChIKey is JKQCYJQFBHHCMR-OXWOXFIQSA-N. The full InChI is InChI=1S/C11H14N2/c1-13(2)10-4-3-5-11-6-8-12-9-7-11/h3-10H,1-2H3/b5-3+,10-4+.
What are the key properties of (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine?
(1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,N-dimethyl-4-pyridin-4-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 121221564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).