(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine

C14H22N2 — CID 129232825

IUPAC(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C/CC)NCCC1=CC(C)=CCN1
InChIInChI=1S/C14H22N2/c1-4-5-6-13(3)15-10-8-14-11-12(2)7-9-16-14/h5-7,11,15-16H,3-4,8-10H2,1-2H3/b6-5+
InChIKeyWDDKYJVOSGLYTJ-AATRIKPKSA-N
MW218.34 g/mol
LogP2.88
Rot. Bonds6

About (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine

(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine (PubChem CID 129232825) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine
PubChem CID129232825
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine
SMILESC=C(/C=C/CC)NCCC1=CC(C)=CCN1
InChIInChI=1S/C14H22N2/c1-4-5-6-13(3)15-10-8-14-11-12(2)7-9-16-14/h5-7,11,15-16H,3-4,8-10H2,1-2H3/b6-5+
InChIKeyWDDKYJVOSGLYTJ-AATRIKPKSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydrocollidin
CID 430194
[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
CID 70913563
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
(1E,3E,5E)-3-N-[(2E,4E)-3,4-difluorohepta-2,4,6-trienyl]-1-N-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)hepta-1,3,5-triene-1,3-diamine
CID 138711347
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]buta-1,3-dien-2-amine
CID 139575722
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(3E)-3-fluoro-5-methyl-N-(3-methylbut-2-enyl)hexa-1,3,5-trien-2-amine
CID 142089087
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 142956605
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 145195918

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine?
The IUPAC name of (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine (CID 129232825) is (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine is C=C(/C=C/CC)NCCC1=CC(C)=CCN1.
What is the InChIKey of (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine?
The InChIKey is WDDKYJVOSGLYTJ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-5-6-13(3)15-10-8-14-11-12(2)7-9-16-14/h5-7,11,15-16H,3-4,8-10H2,1-2H3/b6-5+.
What are the key properties of (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine?
(3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(4-methyl-1,2-dihydropyridin-6-yl)ethyl]hexa-1,3-dien-2-amine is sourced from PubChem (CID 129232825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).