N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine

C12H21NS — CID 64718072

IUPACN,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(C)CC(C)(C)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-10(13-4)8-12(2,3)9-11-6-5-7-14-11/h5-7,10,13H,8-9H2,1-4H3
InChIKeyQSHYRCLGUYHASP-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds5

About N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine

N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 64718072) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
PubChem CID64718072
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(C)CC(C)(C)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-10(13-4)8-12(2,3)9-11-6-5-7-14-11/h5-7,10,13H,8-9H2,1-4H3
InChIKeyQSHYRCLGUYHASP-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
CID 64715317
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
N-[2-(methylamino)propyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 120827269
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N,4,4,7,7-pentamethyloctan-2-amine
CID 64716367

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine (CID 64718072) is N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine is CNC(C)CC(C)(C)Cc1cccs1.
What is the InChIKey of N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is QSHYRCLGUYHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(13-4)8-12(2,3)9-11-6-5-7-14-11/h5-7,10,13H,8-9H2,1-4H3.
What are the key properties of N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine?
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 64718072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).