N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine

C12H21NS — CID 81020260

IUPACN-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)c1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)9-13-7-6-11(3)12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeySDIVFLSOQWRYPS-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.49
Rot. Bonds6

About N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine

N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine (PubChem CID 81020260) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
PubChem CID81020260
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)c1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)9-13-7-6-11(3)12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeySDIVFLSOQWRYPS-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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

2-(6-methylheptan-2-yl)thiophene
CID 141463687
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
3-(3-bromothiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 81019117
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
3-(2-thiophen-2-ylpropylamino)propane-1-sulfonic acid
CID 87816922
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
2-propan-2-ylthiophene
CID 178128598
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine (CID 81020260) is N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine is CC(C)CNCCC(C)c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The InChIKey is SDIVFLSOQWRYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(2)9-13-7-6-11(3)12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 81020260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).