N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine

C11H19NS — CID 63992990

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1sccc1C
InChIInChI=1S/C11H19NS/c1-5-9(3)12-10(4)11-8(2)6-7-13-11/h6-7,9-10,12H,5H2,1-4H3
InChIKeyBGWOKZMFMXVTHE-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.51
Rot. Bonds4

About N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine

N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine (PubChem CID 63992990) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
PubChem CID63992990
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1sccc1C
InChIInChI=1S/C11H19NS/c1-5-9(3)12-10(4)11-8(2)6-7-13-11/h6-7,9-10,12H,5H2,1-4H3
InChIKeyBGWOKZMFMXVTHE-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 63992692
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 95369394
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
(1R)-N-[(1R)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635121
(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635119
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993264
N,N-dimethyl-2-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63990640

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine (CID 63992990) is N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine is CCC(C)NC(C)c1sccc1C.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The InChIKey is BGWOKZMFMXVTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-9(3)12-10(4)11-8(2)6-7-13-11/h6-7,9-10,12H,5H2,1-4H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 63992990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).