4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol

C12H21NOS — CID 107443143

IUPAC4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
SMILESCC(C)C(CN)C(O)CCc1cccs1
InChIInChI=1S/C12H21NOS/c1-9(2)11(8-13)12(14)6-5-10-4-3-7-15-10/h3-4,7,9,11-12,14H,5-6,8,13H2,1-2H3
InChIKeyVBTIYVKIZVILLB-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.27
Rot. Bonds6

About 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol

4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol (PubChem CID 107443143) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
PubChem CID107443143
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
SMILESCC(C)C(CN)C(O)CCc1cccs1
InChIInChI=1S/C12H21NOS/c1-9(2)11(8-13)12(14)6-5-10-4-3-7-15-10/h3-4,7,9,11-12,14H,5-6,8,13H2,1-2H3
InChIKeyVBTIYVKIZVILLB-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
CID 65185188
4-(aminomethyl)-5-methyl-1-(3-methylphenyl)hexan-3-ol
CID 65185744
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol (CID 107443143) is 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol is CC(C)C(CN)C(O)CCc1cccs1.
What is the InChIKey of 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol?
The InChIKey is VBTIYVKIZVILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(2)11(8-13)12(14)6-5-10-4-3-7-15-10/h3-4,7,9,11-12,14H,5-6,8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol?
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol has a molecular weight of 227.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 107443143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).