2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol

C13H23NOS — CID 81411730

IUPAC2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
SMILESCC(C)C(NCC(C)(C)CO)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)12(11-6-5-7-16-11)14-8-13(3,4)9-15/h5-7,10,12,14-15H,8-9H2,1-4H3
InChIKeyWEBWZVCMSHYLFU-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.05
Rot. Bonds6

About 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol

2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol (PubChem CID 81411730) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
PubChem CID81411730
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
SMILESCC(C)C(NCC(C)(C)CO)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)12(11-6-5-7-16-11)14-8-13(3,4)9-15/h5-7,10,12,14-15H,8-9H2,1-4H3
InChIKeyWEBWZVCMSHYLFU-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
methyl 2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 113436506
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
CID 77062817
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol (CID 81411730) is 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol is CC(C)C(NCC(C)(C)CO)c1cccs1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol?
The InChIKey is WEBWZVCMSHYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)12(11-6-5-7-16-11)14-8-13(3,4)9-15/h5-7,10,12,14-15H,8-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol?
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol is sourced from PubChem (CID 81411730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).