2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine

C12H21NS — CID 81398925

IUPAC2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1cccs1
InChIInChI=1S/C12H21NS/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m1/s1
InChIKeyZBBAJSSREFWQCU-RRKGBCIJSA-N
MW211.37 g/mol
LogP3.83
Rot. Bonds6

About 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine

2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine (PubChem CID 81398925) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
PubChem CID81398925
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
SMILESCCCC(C)CN[C@H](C)c1cccs1
InChIInChI=1S/C12H21NS/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m1/s1
InChIKeyZBBAJSSREFWQCU-RRKGBCIJSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine (CID 81398925) is 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine is CCCC(C)CN[C@H](C)c1cccs1.
What is the InChIKey of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine?
The InChIKey is ZBBAJSSREFWQCU-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-6-10(2)9-13-11(3)12-7-5-8-14-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine?
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine is sourced from PubChem (CID 81398925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).