5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol

C13H23NOS — CID 111498599

IUPAC5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(2)8-12(5-6-15)9-14-10-13-4-3-7-16-13/h3-4,7,11-12,14-15H,5-6,8-10H2,1-2H3
InChIKeyAOTQPPAPXXUBJB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.88
Rot. Bonds8

About 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol

5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol (PubChem CID 111498599) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
PubChem CID111498599
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(2)8-12(5-6-15)9-14-10-13-4-3-7-16-13/h3-4,7,11-12,14-15H,5-6,8-10H2,1-2H3
InChIKeyAOTQPPAPXXUBJB-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
CID 111503737
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111715514
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol
CID 109396323
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol (CID 111498599) is 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol is CC(C)CC(CCO)CNCc1cccs1.
What is the InChIKey of 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is AOTQPPAPXXUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11(2)8-12(5-6-15)9-14-10-13-4-3-7-16-13/h3-4,7,11-12,14-15H,5-6,8-10H2,1-2H3.
What are the key properties of 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol?
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 111498599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).