N-ethyl-5-pyridin-2-ylpent-1-en-3-amine

C12H18N2 — CID 105161265

IUPACN-ethyl-5-pyridin-2-ylpent-1-en-3-amine
SMILESC=CC(CCc1ccccn1)NCC
InChIInChI=1S/C12H18N2/c1-3-11(13-4-2)8-9-12-7-5-6-10-14-12/h3,5-7,10-11,13H,1,4,8-9H2,2H3
InChIKeyDBMYDQZZZUYTHL-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds6

About N-ethyl-5-pyridin-2-ylpent-1-en-3-amine

N-ethyl-5-pyridin-2-ylpent-1-en-3-amine (PubChem CID 105161265) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-5-pyridin-2-ylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-pyridin-2-ylpent-1-en-3-amine
PubChem CID105161265
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-5-pyridin-2-ylpent-1-en-3-amine
SMILESC=CC(CCc1ccccn1)NCC
InChIInChI=1S/C12H18N2/c1-3-11(13-4-2)8-9-12-7-5-6-10-14-12/h3,5-7,10-11,13H,1,4,8-9H2,2H3
InChIKeyDBMYDQZZZUYTHL-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148427
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pyridin-2-ylpent-1-en-3-amine?
The IUPAC name of N-ethyl-5-pyridin-2-ylpent-1-en-3-amine (CID 105161265) is N-ethyl-5-pyridin-2-ylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-5-pyridin-2-ylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-5-pyridin-2-ylpent-1-en-3-amine is C=CC(CCc1ccccn1)NCC.
What is the InChIKey of N-ethyl-5-pyridin-2-ylpent-1-en-3-amine?
The InChIKey is DBMYDQZZZUYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-11(13-4-2)8-9-12-7-5-6-10-14-12/h3,5-7,10-11,13H,1,4,8-9H2,2H3.
What are the key properties of N-ethyl-5-pyridin-2-ylpent-1-en-3-amine?
N-ethyl-5-pyridin-2-ylpent-1-en-3-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 N-ethyl-5-pyridin-2-ylpent-1-en-3-amine is sourced from PubChem (CID 105161265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).