4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol

C12H21NOS — CID 111448862

IUPAC4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
SMILESCc1ccc(CNCC(C)CC(C)O)s1
InChIInChI=1S/C12H21NOS/c1-9(6-10(2)14)7-13-8-12-5-4-11(3)15-12/h4-5,9-10,13-14H,6-8H2,1-3H3
InChIKeyORNXGHDUBCGFRG-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.55
Rot. Bonds6

About 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol

4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol (PubChem CID 111448862) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
PubChem CID111448862
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
SMILESCc1ccc(CNCC(C)CC(C)O)s1
InChIInChI=1S/C12H21NOS/c1-9(6-10(2)14)7-13-8-12-5-4-11(3)15-12/h4-5,9-10,13-14H,6-8H2,1-3H3
InChIKeyORNXGHDUBCGFRG-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
CID 62054518
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
(1S)-1-(4-bromophenyl)-2-[(5-methylthiophen-2-yl)methylamino]ethanol
CID 125467354
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol (CID 111448862) is 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol is Cc1ccc(CNCC(C)CC(C)O)s1.
What is the InChIKey of 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol?
The InChIKey is ORNXGHDUBCGFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(6-10(2)14)7-13-8-12-5-4-11(3)15-12/h4-5,9-10,13-14H,6-8H2,1-3H3.
What are the key properties of 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol?
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111448862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).