2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol

C10H17NOS — CID 79359757

IUPAC2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
SMILESCC(C)(O)CCNCc1cccs1
InChIInChI=1S/C10H17NOS/c1-10(2,12)5-6-11-8-9-4-3-7-13-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyFDTILLCCFOVUPX-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.00
Rot. Bonds5

About 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol

2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol (PubChem CID 79359757) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
PubChem CID79359757
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
SMILESCC(C)(O)CCNCc1cccs1
InChIInChI=1S/C10H17NOS/c1-10(2,12)5-6-11-8-9-4-3-7-13-9/h3-4,7,11-12H,5-6,8H2,1-2H3
InChIKeyFDTILLCCFOVUPX-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
4-[(thiophen-2-ylmethylamino)methyl]heptan-4-ol
CID 111436964
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol (CID 79359757) is 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol is CC(C)(O)CCNCc1cccs1.
What is the InChIKey of 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol?
The InChIKey is FDTILLCCFOVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,12)5-6-11-8-9-4-3-7-13-9/h3-4,7,11-12H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol?
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 79359757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).