N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine

C17H24N2S — CID 105136068

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccc(CC)s1
InChIInChI=1S/C17H24N2S/c1-3-16-10-11-17(20-16)13-15(18-4-2)9-8-14-7-5-6-12-19-14/h5-7,10-12,15,18H,3-4,8-9,13H2,1-2H3
InChIKeyQRVWDOXJUQRTPC-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.86
Rot. Bonds8

About N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine (PubChem CID 105136068) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
PubChem CID105136068
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccc(CC)s1
InChIInChI=1S/C17H24N2S/c1-3-16-10-11-17(20-16)13-15(18-4-2)9-8-14-7-5-6-12-19-14/h5-7,10-12,15,18H,3-4,8-9,13H2,1-2H3
InChIKeyQRVWDOXJUQRTPC-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine (CID 105136068) is N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine is CCNC(CCc1ccccn1)Cc1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine?
The InChIKey is QRVWDOXJUQRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-16-10-11-17(20-16)13-15(18-4-2)9-8-14-7-5-6-12-19-14/h5-7,10-12,15,18H,3-4,8-9,13H2,1-2H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105136068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).