N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C16H23NS2 — CID 80525978

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(C)NCC(C)(C)c2cccs2)s1
InChIInChI=1S/C16H23NS2/c1-5-13-8-9-14(19-13)12(2)17-11-16(3,4)15-7-6-10-18-15/h6-10,12,17H,5,11H2,1-4H3
InChIKeyUOXZMPNSLOEMAY-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.00
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 80525978) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID80525978
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(C)NCC(C)(C)c2cccs2)s1
InChIInChI=1S/C16H23NS2/c1-5-13-8-9-14(19-13)12(2)17-11-16(3,4)15-7-6-10-18-15/h6-10,12,17H,5,11H2,1-4H3
InChIKeyUOXZMPNSLOEMAY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526182
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 80525978) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CCc1ccc(C(C)NCC(C)(C)c2cccs2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UOXZMPNSLOEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-5-13-8-9-14(19-13)12(2)17-11-16(3,4)15-7-6-10-18-15/h6-10,12,17H,5,11H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80525978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).