N-ethyl-1-pyridin-3-ylpent-4-en-2-amine

C12H18N2 — CID 62551025

IUPACN-ethyl-1-pyridin-3-ylpent-4-en-2-amine
SMILESC=CCC(Cc1cccnc1)NCC
InChIInChI=1S/C12H18N2/c1-3-6-12(14-4-2)9-11-7-5-8-13-10-11/h3,5,7-8,10,12,14H,1,4,6,9H2,2H3
InChIKeyOSJLMKIDLLDVAR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds6

About N-ethyl-1-pyridin-3-ylpent-4-en-2-amine

N-ethyl-1-pyridin-3-ylpent-4-en-2-amine (PubChem CID 62551025) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-1-pyridin-3-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-3-ylpent-4-en-2-amine
PubChem CID62551025
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-1-pyridin-3-ylpent-4-en-2-amine
SMILESC=CCC(Cc1cccnc1)NCC
InChIInChI=1S/C12H18N2/c1-3-6-12(14-4-2)9-11-7-5-8-13-10-11/h3,5,7-8,10,12,14H,1,4,6,9H2,2H3
InChIKeyOSJLMKIDLLDVAR-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-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-3-ylpent-4-en-2-amine?
The IUPAC name of N-ethyl-1-pyridin-3-ylpent-4-en-2-amine (CID 62551025) is N-ethyl-1-pyridin-3-ylpent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-pyridin-3-ylpent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-pyridin-3-ylpent-4-en-2-amine is C=CCC(Cc1cccnc1)NCC.
What is the InChIKey of N-ethyl-1-pyridin-3-ylpent-4-en-2-amine?
The InChIKey is OSJLMKIDLLDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-6-12(14-4-2)9-11-7-5-8-13-10-11/h3,5,7-8,10,12,14H,1,4,6,9H2,2H3.
What are the key properties of N-ethyl-1-pyridin-3-ylpent-4-en-2-amine?
N-ethyl-1-pyridin-3-ylpent-4-en-2-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-1-pyridin-3-ylpent-4-en-2-amine is sourced from PubChem (CID 62551025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).