(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine

C8H14N2 — CID 168941719

IUPAC(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine
SMILESC/C(=C\N)C1=CCCNC1
InChIInChI=1S/C8H14N2/c1-7(5-9)8-3-2-4-10-6-8/h3,5,10H,2,4,6,9H2,1H3/b7-5+
InChIKeyIBTKHPARVMPTMY-FNORWQNLSA-N
MW138.21 g/mol
LogP0.77
Rot. Bonds1

About (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine

(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine (PubChem CID 168941719) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine
PubChem CID168941719
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine
SMILESC/C(=C\N)C1=CCCNC1
InChIInChI=1S/C8H14N2/c1-7(5-9)8-3-2-4-10-6-8/h3,5,10H,2,4,6,9H2,1H3/b7-5+
InChIKeyIBTKHPARVMPTMY-FNORWQNLSA-N
XLogP0.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
Dimethyldihydropyridine
CID 424460
(1,2,3,6-Tetrahydropyridin-4-yl)methanamine
CID 20666163
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride
CID 139358049
1-(1,2-dihydropyridin-5-yl)-N-fluoro-N-methylmethanamine
CID 166777582
6-Ethyl-3-fluoro-5-methyl-1,2-dihydropyridine
CID 173055770
1-(3-ethyl-5-fluoro-2H-pyridin-1-yl)ethanamine
CID 178136836
1,2-Dihydropyridin-5-ylmethanamine
CID 270515
N-[2-(1,2-dihydropyridin-3-yl)-2,2-difluoroethyl]propan-1-amine
CID 162576795
5-Methyl-1,2-dihydropyridine
CID 424458
3-Ethyl-1,2-dihydropyridine
CID 15068621

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine?
The IUPAC name of (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine (CID 168941719) is (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine is C/C(=C\N)C1=CCCNC1.
What is the InChIKey of (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine?
The InChIKey is IBTKHPARVMPTMY-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(5-9)8-3-2-4-10-6-8/h3,5,10H,2,4,6,9H2,1H3/b7-5+.
What are the key properties of (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine?
(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 168941719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).