2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine

C11H19NS — CID 61474890

IUPAC2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCCC(C)CNCCc1ccsc1
InChIInChI=1S/C11H19NS/c1-3-10(2)8-12-6-4-11-5-7-13-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyNCWBNEAPSWNUPS-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.93
Rot. Bonds6

About 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine

2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine (PubChem CID 61474890) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
PubChem CID61474890
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCCC(C)CNCCc1ccsc1
InChIInChI=1S/C11H19NS/c1-3-10(2)8-12-6-4-11-5-7-13-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyNCWBNEAPSWNUPS-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
4-[3-(2-methylbutylamino)propyl]phenol
CID 115887589
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine (CID 61474890) is 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine is CCC(C)CNCCc1ccsc1.
What is the InChIKey of 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine?
The InChIKey is NCWBNEAPSWNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-10(2)8-12-6-4-11-5-7-13-9-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine?
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine is sourced from PubChem (CID 61474890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).