3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol

C10H17NOS — CID 130581546

IUPAC3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1sccc1C(O)C(C)(C)CN
InChIInChI=1S/C10H17NOS/c1-7-8(4-5-13-7)9(12)10(2,3)6-11/h4-5,9,12H,6,11H2,1-3H3
InChIKeyACNRLPZUDMPOFY-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.07
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol

3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol (PubChem CID 130581546) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
PubChem CID130581546
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
SMILESCc1sccc1C(O)C(C)(C)CN
InChIInChI=1S/C10H17NOS/c1-7-8(4-5-13-7)9(12)10(2,3)6-11/h4-5,9,12H,6,11H2,1-3H3
InChIKeyACNRLPZUDMPOFY-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544
1-(2-methylthiophen-3-yl)propane-1,2,3-triol
CID 170817278
2-(diethylamino)-2-ethyl-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831417
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
[3,3-dimethyl-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102842769
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
N-tert-butyl-2-chloro-2-(2-methylthiophen-3-yl)acetamide
CID 130581494
1H-imidazol-2-yl-(2-methylthiophen-3-yl)methanol
CID 102831477
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 130965344

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol (CID 130581546) is 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol is Cc1sccc1C(O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol?
The InChIKey is ACNRLPZUDMPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7-8(4-5-13-7)9(12)10(2,3)6-11/h4-5,9,12H,6,11H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol?
3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 130581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).