2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal

C10H21NOS — CID 112664480

IUPAC2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(C)CCSC
InChIInChI=1S/C10H21NOS/c1-5-10(2,9-12)8-11(3)6-7-13-4/h9H,5-8H2,1-4H3
InChIKeyCUJZOLFAQZDJOZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds7

About 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal

2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal (PubChem CID 112664480) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
PubChem CID112664480
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(C)CCSC
InChIInChI=1S/C10H21NOS/c1-5-10(2,9-12)8-11(3)6-7-13-4/h9H,5-8H2,1-4H3
InChIKeyCUJZOLFAQZDJOZ-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[[methyl(propyl)amino]methyl]butanal
CID 62275627
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
CID 79379227
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
CID 112664642
methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 112661457
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
CID 104554515
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
CID 62277389
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62278315
1-N,3-N,2,2-tetramethyl-1-N-(2-methylsulfanylethyl)butane-1,3-diamine
CID 112664734
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal (CID 112664480) is 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal is CCC(C)(C=O)CN(C)CCSC.
What is the InChIKey of 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal?
The InChIKey is CUJZOLFAQZDJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-10(2,9-12)8-11(3)6-7-13-4/h9H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal?
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal has a molecular weight of 203.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal is sourced from PubChem (CID 112664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).