N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine

C12H21NS — CID 61000963

IUPACN-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCCNC(C)C(CC)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-4-11(10(3)13-5-2)9-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKeyMTSUEROEQGBLMS-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine

N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine (PubChem CID 61000963) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
PubChem CID61000963
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCCNC(C)C(CC)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-4-11(10(3)13-5-2)9-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3
InChIKeyMTSUEROEQGBLMS-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine?
The IUPAC name of N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine (CID 61000963) is N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine is CCNC(C)C(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine?
The InChIKey is MTSUEROEQGBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-11(10(3)13-5-2)9-12-7-6-8-14-12/h6-8,10-11,13H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine?
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 61000963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).