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

C11H19NOS — CID 115134103

IUPAC3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCN(Cc1cccs1)C(C)(C)CCO
InChIInChI=1S/C11H19NOS/c1-11(2,6-7-13)12(3)9-10-5-4-8-14-10/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyXFQWDSNJPPVVTQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.34
Rot. Bonds5

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

3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol (PubChem CID 115134103) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
PubChem CID115134103
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCN(Cc1cccs1)C(C)(C)CCO
InChIInChI=1S/C11H19NOS/c1-11(2,6-7-13)12(3)9-10-5-4-8-14-10/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyXFQWDSNJPPVVTQ-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 114991334
3,3-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 115883398
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
3-thiophen-2-ylpropan-1-ol
CID 13109866
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol (CID 115134103) is 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol is CN(Cc1cccs1)C(C)(C)CCO.
What is the InChIKey of 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The InChIKey is XFQWDSNJPPVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,6-7-13)12(3)9-10-5-4-8-14-10/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol?
3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl(thiophen-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 115134103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).