4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine

C14H24N2 — CID 142598103

IUPAC4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine
SMILESC=CC1=C(C=C)CN(CC(C)CCN)CC1
InChIInChI=1S/C14H24N2/c1-4-13-7-9-16(11-14(13)5-2)10-12(3)6-8-15/h4-5,12H,1-2,6-11,15H2,3H3
InChIKeyJEESUISLJKRQBK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.35
Rot. Bonds6

About 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine

4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine (PubChem CID 142598103) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine
PubChem CID142598103
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine
SMILESC=CC1=C(C=C)CN(CC(C)CCN)CC1
InChIInChI=1S/C14H24N2/c1-4-13-7-9-16(11-14(13)5-2)10-12(3)6-8-15/h4-5,12H,1-2,6-11,15H2,3H3
InChIKeyJEESUISLJKRQBK-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
p-Dimethyl-aminobenzyldiethylamine
CID 129806686
2-fluoro-N-[(3-methyl-4-methylidenecyclohexa-1,5-dien-1-yl)methyl]ethanamine
CID 176936611
N-(cyclohexa-1,4-dien-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 20365148
5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
CID 57324733
4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 68303204
(Z)-5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
CID 70179763
(E)-5-(1-methyl-2H-pyridin-5-yl)pent-4-en-1-amine
CID 70180861
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
(2S)-N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-methylhexan-1-amine
CID 70814736
4-[2-(4-Methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine
CID 71090950

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine?
The IUPAC name of 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine (CID 142598103) is 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine is C=CC1=C(C=C)CN(CC(C)CCN)CC1.
What is the InChIKey of 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine?
The InChIKey is JEESUISLJKRQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-13-7-9-16(11-14(13)5-2)10-12(3)6-8-15/h4-5,12H,1-2,6-11,15H2,3H3.
What are the key properties of 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine?
4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 142598103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).