6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol

C12H21NOS — CID 103737759

IUPAC6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
SMILESCN(CCCCCCO)Cc1ccsc1
InChIInChI=1S/C12H21NOS/c1-13(7-4-2-3-5-8-14)10-12-6-9-15-11-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyZMOUZTWBAABEKA-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.73
Rot. Bonds8

About 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol

6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol (PubChem CID 103737759) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
PubChem CID103737759
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
SMILESCN(CCCCCCO)Cc1ccsc1
InChIInChI=1S/C12H21NOS/c1-13(7-4-2-3-5-8-14)10-12-6-9-15-11-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyZMOUZTWBAABEKA-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
CID 111635853
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
12-thiophen-3-yldodecan-1-ol
CID 67533520
4-thiophen-3-ylbutan-1-ol
CID 54222621
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol (CID 103737759) is 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The canonical SMILES for 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol is CN(CCCCCCO)Cc1ccsc1.
What is the InChIKey of 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
The InChIKey is ZMOUZTWBAABEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-13(7-4-2-3-5-8-14)10-12-6-9-15-11-12/h6,9,11,14H,2-5,7-8,10H2,1H3.
What are the key properties of 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol?
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol is sourced from PubChem (CID 103737759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).