3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol

C10H17NOS — CID 115216990

IUPAC3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccsc1CN(C)CCCO
InChIInChI=1S/C10H17NOS/c1-9-4-7-13-10(9)8-11(2)5-3-6-12/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyHCRUOQCRWSDXGN-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.87
Rot. Bonds5

About 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol

3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol (PubChem CID 115216990) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
PubChem CID115216990
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
SMILESCc1ccsc1CN(C)CCCO
InChIInChI=1S/C10H17NOS/c1-9-4-7-13-10(9)8-11(2)5-3-6-12/h4,7,12H,3,5-6,8H2,1-2H3
InChIKeyHCRUOQCRWSDXGN-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869
N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
CID 135108529
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095
4-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]butan-1-ol
CID 115882968
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
5-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]pentan-1-ol
CID 107203692
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol (CID 115216990) is 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol is Cc1ccsc1CN(C)CCCO.
What is the InChIKey of 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
The InChIKey is HCRUOQCRWSDXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9-4-7-13-10(9)8-11(2)5-3-6-12/h4,7,12H,3,5-6,8H2,1-2H3.
What are the key properties of 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol?
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115216990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).