N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine

C12H21NS — CID 62530694

IUPACN-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C12H21NS/c1-10(8-13-12(2,3)4)7-11-5-6-14-9-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyRWTLGMSSWVBAMD-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds4

About N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine

N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62530694) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID62530694
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C12H21NS/c1-10(8-13-12(2,3)4)7-11-5-6-14-9-11/h5-6,9-10,13H,7-8H2,1-4H3
InChIKeyRWTLGMSSWVBAMD-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79431603
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine (CID 62530694) is N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine is CC(CNC(C)(C)C)Cc1ccsc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is RWTLGMSSWVBAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(8-13-12(2,3)4)7-11-5-6-14-9-11/h5-6,9-10,13H,7-8H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine?
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62530694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).