N-(2-thiophen-2-ylpropyl)butan-2-amine

C11H19NS — CID 115722128

IUPACN-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCCC(C)NCC(C)c1cccs1
InChIInChI=1S/C11H19NS/c1-4-10(3)12-8-9(2)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyWBLUQHJWNODASK-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.24
Rot. Bonds5

About N-(2-thiophen-2-ylpropyl)butan-2-amine

N-(2-thiophen-2-ylpropyl)butan-2-amine (PubChem CID 115722128) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-(2-thiophen-2-ylpropyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylpropyl)butan-2-amine
PubChem CID115722128
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-(2-thiophen-2-ylpropyl)butan-2-amine
SMILESCCC(C)NCC(C)c1cccs1
InChIInChI=1S/C11H19NS/c1-4-10(3)12-8-9(2)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3
InChIKeyWBLUQHJWNODASK-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722142
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
N-[1-(furan-3-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 115722148
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987696
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
1-propan-2-yl-N-(2-thiophen-2-ylpropyl)piperidin-4-amine
CID 75428213
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 7130716
2-propan-2-ylthiophene
CID 178128598
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylpropyl)butan-2-amine?
The IUPAC name of N-(2-thiophen-2-ylpropyl)butan-2-amine (CID 115722128) is N-(2-thiophen-2-ylpropyl)butan-2-amine.
What is the SMILES notation for N-(2-thiophen-2-ylpropyl)butan-2-amine?
The canonical SMILES for N-(2-thiophen-2-ylpropyl)butan-2-amine is CCC(C)NCC(C)c1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylpropyl)butan-2-amine?
The InChIKey is WBLUQHJWNODASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-10(3)12-8-9(2)11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3.
What are the key properties of N-(2-thiophen-2-ylpropyl)butan-2-amine?
N-(2-thiophen-2-ylpropyl)butan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylpropyl)butan-2-amine is sourced from PubChem (CID 115722128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).