2-(pentylamino)-1-thiophen-2-ylpropan-1-ol

C12H21NOS — CID 82314420

IUPAC2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCCCCCNC(C)C(O)c1cccs1
InChIInChI=1S/C12H21NOS/c1-3-4-5-8-13-10(2)12(14)11-7-6-9-15-11/h6-7,9-10,12-14H,3-5,8H2,1-2H3
InChIKeyINRHHCPYTGJVFK-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.95
Rot. Bonds7

About 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol

2-(pentylamino)-1-thiophen-2-ylpropan-1-ol (PubChem CID 82314420) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
PubChem CID82314420
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCCCCCNC(C)C(O)c1cccs1
InChIInChI=1S/C12H21NOS/c1-3-4-5-8-13-10(2)12(14)11-7-6-9-15-11/h6-7,9-10,12-14H,3-5,8H2,1-2H3
InChIKeyINRHHCPYTGJVFK-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314461
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
2-(tetradecylamino)propane-1,1-diol
CID 174762987
4-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]butanoic acid
CID 82314515
3-(butylamino)-3-thiophen-2-ylpropanoic acid
CID 43727779
(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol (CID 82314420) is 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol is CCCCCNC(C)C(O)c1cccs1.
What is the InChIKey of 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is INRHHCPYTGJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-4-5-8-13-10(2)12(14)11-7-6-9-15-11/h6-7,9-10,12-14H,3-5,8H2,1-2H3.
What are the key properties of 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol?
2-(pentylamino)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82314420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).