3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol

C12H21NOS — CID 115891676

IUPAC3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
SMILESCCC(C)C(CO)NC(C)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-9(2)12(7-14)13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3
InChIKeyQBKAWOLUQXNGLT-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.81
Rot. Bonds6

About 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol

3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol (PubChem CID 115891676) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
PubChem CID115891676
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
SMILESCCC(C)C(CO)NC(C)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-9(2)12(7-14)13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3
InChIKeyQBKAWOLUQXNGLT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
methyl 3-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62089111
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62091746
1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine
CID 115721641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol?
The IUPAC name of 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol (CID 115891676) is 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol is CCC(C)C(CO)NC(C)c1ccsc1.
What is the InChIKey of 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol?
The InChIKey is QBKAWOLUQXNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-9(2)12(7-14)13-10(3)11-5-6-15-8-11/h5-6,8-10,12-14H,4,7H2,1-3H3.
What are the key properties of 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol?
3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol is sourced from PubChem (CID 115891676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).