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

C13H22N2 — CID 142598106

IUPAC3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine
SMILESC=CC1=C(C=C)CN(CC(C)CN)CC1
InChIInChI=1S/C13H22N2/c1-4-12-6-7-15(9-11(3)8-14)10-13(12)5-2/h4-5,11H,1-2,6-10,14H2,3H3
InChIKeyJHTWXHRLODQMJW-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.96
Rot. Bonds5

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

3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine (PubChem CID 142598106) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine
PubChem CID142598106
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine
SMILESC=CC1=C(C=C)CN(CC(C)CN)CC1
InChIInChI=1S/C13H22N2/c1-4-12-6-7-15(9-11(3)8-14)10-13(12)5-2/h4-5,11H,1-2,6-10,14H2,3H3
InChIKeyJHTWXHRLODQMJW-UHFFFAOYSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexa-1,4-dien-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 20365148
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 20706356
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
4-[2-(4-Methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine
CID 71090950
N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]ethanamine
CID 88993570
(2Z,4E)-N'-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
CID 88993601
(2Z,4E)-N'-[[(1S)-4-ethylcyclohexa-2,4-dien-1-yl]methyl]hexa-2,4-diene-1,6-diamine
CID 88993603
4-ethenyl-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 89002721

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine (CID 142598106) is 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine is C=CC1=C(C=C)CN(CC(C)CN)CC1.
What is the InChIKey of 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine?
The InChIKey is JHTWXHRLODQMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12-6-7-15(9-11(3)8-14)10-13(12)5-2/h4-5,11H,1-2,6-10,14H2,3H3.
What are the key properties of 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine?
3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 142598106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).