2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol

C12H21NOS — CID 115920460

IUPAC2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-4-7-12(3,9-14)13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3
InChIKeyTZLVTAIUWCLFNC-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.95
Rot. Bonds6

About 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol

2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol (PubChem CID 115920460) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
PubChem CID115920460
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol
SMILESCCCC(C)(CO)NC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-4-7-12(3,9-14)13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3
InChIKeyTZLVTAIUWCLFNC-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
CID 115920469
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408877
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol?
The IUPAC name of 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol (CID 115920460) is 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol is CCCC(C)(CO)NC(C)c1cccs1.
What is the InChIKey of 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol?
The InChIKey is TZLVTAIUWCLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-7-12(3,9-14)13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3.
What are the key properties of 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol?
2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-thiophen-2-ylethylamino)pentan-1-ol is sourced from PubChem (CID 115920460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).