2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

C15H22N2 — CID 142068101

IUPAC2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCC1=CCC(CNCCC2=CC=NCC2)C=C1
InChIInChI=1S/C15H22N2/c1-13-2-4-15(5-3-13)12-17-11-8-14-6-9-16-10-7-14/h2-4,6,9,15,17H,5,7-8,10-12H2,1H3
InChIKeyILLOSFWAMDBHDZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (PubChem CID 142068101) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
PubChem CID142068101
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCC1=CCC(CNCCC2=CC=NCC2)C=C1
InChIInChI=1S/C15H22N2/c1-13-2-4-15(5-3-13)12-17-11-8-14-6-9-16-10-7-14/h2-4,6,9,15,17H,5,7-8,10-12H2,1H3
InChIKeyILLOSFWAMDBHDZ-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57021708
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
CID 59718538
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 123156694
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
CID 123822692
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786
N',N'-dimethyl-N-[[4-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]methyl]ethane-1,2-diamine
CID 135270501
5-[(3E,5Z)-hepta-3,5-dien-3-yl]-2-methyl-1,2,5,6-tetrahydropyrimidine
CID 137504024

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The IUPAC name of 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (CID 142068101) is 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is CC1=CCC(CNCCC2=CC=NCC2)C=C1.
What is the InChIKey of 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The InChIKey is ILLOSFWAMDBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-2-4-15(5-3-13)12-17-11-8-14-6-9-16-10-7-14/h2-4,6,9,15,17H,5,7-8,10-12H2,1H3.
What are the key properties of 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-4-yl)-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is sourced from PubChem (CID 142068101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).