1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol

C12H21NOS — CID 65190040

IUPAC1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
SMILESCC(C)CCC(O)C(CN)c1cccs1
InChIInChI=1S/C12H21NOS/c1-9(2)5-6-11(14)10(8-13)12-4-3-7-15-12/h3-4,7,9-11,14H,5-6,8,13H2,1-2H3
InChIKeyCALXAVVQEFRKBH-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.59
Rot. Bonds6

About 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol

1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol (PubChem CID 65190040) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol.

Molecular Properties

Compound Name1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
PubChem CID65190040
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
SMILESCC(C)CCC(O)C(CN)c1cccs1
InChIInChI=1S/C12H21NOS/c1-9(2)5-6-11(14)10(8-13)12-4-3-7-15-12/h3-4,7,9-11,14H,5-6,8,13H2,1-2H3
InChIKeyCALXAVVQEFRKBH-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5-(3-methylphenyl)-2-thiophen-2-ylpentan-3-ol
CID 65190297
1-amino-4-methyl-2-thiophen-2-ylhexan-3-ol
CID 65190352
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
4-amino-1-cycloheptyl-3-thiophen-2-ylbutan-2-ol
CID 114459269
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
2-(6-methylheptan-2-yl)thiophene
CID 141463687
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol?
The IUPAC name of 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol (CID 65190040) is 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol.
What is the SMILES notation for 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol?
The canonical SMILES for 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol is CC(C)CCC(O)C(CN)c1cccs1.
What is the InChIKey of 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol?
The InChIKey is CALXAVVQEFRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(2)5-6-11(14)10(8-13)12-4-3-7-15-12/h3-4,7,9-11,14H,5-6,8,13H2,1-2H3.
What are the key properties of 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol?
1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol has a molecular weight of 227.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol is sourced from PubChem (CID 65190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).