5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol

C13H23NOS — CID 111635853

IUPAC5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
SMILESCC(Cc1ccsc1)N(C)CCCCCO
InChIInChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14(2)7-4-3-5-8-15/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyCXCOZUCEGSROHB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.77
Rot. Bonds8

About 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol

5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol (PubChem CID 111635853) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
PubChem CID111635853
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
SMILESCC(Cc1ccsc1)N(C)CCCCCO
InChIInChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14(2)7-4-3-5-8-15/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyCXCOZUCEGSROHB-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.77
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

6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
12-thiophen-3-yldodecan-1-ol
CID 67533520
1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 111753828
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
CID 166314412
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol (CID 111635853) is 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol is CC(Cc1ccsc1)N(C)CCCCCO.
What is the InChIKey of 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol?
The InChIKey is CXCOZUCEGSROHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-12(10-13-6-9-16-11-13)14(2)7-4-3-5-8-15/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol?
5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 111635853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).