3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol

C12H21NOS — CID 115660386

IUPAC3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-2-3-11(4-6-14)8-13-9-12-5-7-15-10-12/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3
InChIKeyFAAGYTVVYIETAO-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.64
Rot. Bonds8

About 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol

3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol (PubChem CID 115660386) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
PubChem CID115660386
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-2-3-11(4-6-14)8-13-9-12-5-7-15-10-12/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3
InChIKeyFAAGYTVVYIETAO-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[[(4-thiophen-2-ylthiophen-2-yl)methylamino]methyl]hexan-1-ol
CID 103707851
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865

Frequently Asked Questions

What is the IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol (CID 115660386) is 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol is CCCC(CCO)CNCc1ccsc1.
What is the InChIKey of 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is FAAGYTVVYIETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-2-3-11(4-6-14)8-13-9-12-5-7-15-10-12/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3.
What are the key properties of 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol?
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 115660386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).