3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol

C12H21NOS — CID 115883398

IUPAC3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCN(Cc1cccs1)C(CO)C(C)(C)C
InChIInChI=1S/C12H21NOS/c1-12(2,3)11(9-14)13(4)8-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyKLXLRCBJGNYVNN-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.59
Rot. Bonds4

About 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol

3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol (PubChem CID 115883398) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
PubChem CID115883398
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCN(Cc1cccs1)C(CO)C(C)(C)C
InChIInChI=1S/C12H21NOS/c1-12(2,3)11(9-14)13(4)8-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3
InChIKeyKLXLRCBJGNYVNN-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477
3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115134103
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol (CID 115883398) is 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol is CN(Cc1cccs1)C(CO)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The InChIKey is KLXLRCBJGNYVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-12(2,3)11(9-14)13(4)8-10-6-5-7-15-10/h5-7,11,14H,8-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 115883398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).