2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol

C12H21NOS — CID 115927429

IUPAC2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
SMILESCCC(Cc1cccs1)NC(C)(C)CO
InChIInChI=1S/C12H21NOS/c1-4-10(13-12(2,3)9-14)8-11-6-5-7-15-11/h5-7,10,13-14H,4,8-9H2,1-3H3
InChIKeyHBCHLPWEHZCTLT-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol

2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol (PubChem CID 115927429) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
PubChem CID115927429
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
SMILESCCC(Cc1cccs1)NC(C)(C)CO
InChIInChI=1S/C12H21NOS/c1-4-10(13-12(2,3)9-14)8-11-6-5-7-15-11/h5-7,10,13-14H,4,8-9H2,1-3H3
InChIKeyHBCHLPWEHZCTLT-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
CID 115927963
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477
2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol (CID 115927429) is 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol is CCC(Cc1cccs1)NC(C)(C)CO.
What is the InChIKey of 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol?
The InChIKey is HBCHLPWEHZCTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10(13-12(2,3)9-14)8-11-6-5-7-15-11/h5-7,10,13-14H,4,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol?
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 115927429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).