(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine

C12H18N2 — CID 104737312

IUPAC(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine
SMILESCCNCC/C=C/Cc1cccnc1
InChIInChI=1S/C12H18N2/c1-2-13-9-5-3-4-7-12-8-6-10-14-11-12/h3-4,6,8,10-11,13H,2,5,7,9H2,1H3/b4-3+
InChIKeyZRFYDDWKNCXQHG-ONEGZZNKSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds6

About (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine

(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine (PubChem CID 104737312) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine
PubChem CID104737312
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine
SMILESCCNCC/C=C/Cc1cccnc1
InChIInChI=1S/C12H18N2/c1-2-13-9-5-3-4-7-12-8-6-10-14-11-12/h3-4,6,8,10-11,13H,2,5,7,9H2,1H3/b4-3+
InChIKeyZRFYDDWKNCXQHG-ONEGZZNKSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
1-N-ethyl-3-N-methyl-3-N-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 62431967
3-ethylpyridine
CID 10823
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
CID 162940035
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
(E)-4-chloro-N-(2-pyridin-3-ylethyl)but-2-en-1-amine
CID 81429262
5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79591052
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine (CID 104737312) is (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine is CCNCC/C=C/Cc1cccnc1.
What is the InChIKey of (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine?
The InChIKey is ZRFYDDWKNCXQHG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-13-9-5-3-4-7-12-8-6-10-14-11-12/h3-4,6,8,10-11,13H,2,5,7,9H2,1H3/b4-3+.
What are the key properties of (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine?
(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine is sourced from PubChem (CID 104737312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).