2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal

C10H21NO2 — CID 104554515

IUPAC2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(C)C(C)CO
InChIInChI=1S/C10H21NO2/c1-5-10(3,8-13)7-11(4)9(2)6-12/h8-9,12H,5-7H2,1-4H3
InChIKeySLORKHLGCXDJAM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds6

About 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal

2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal (PubChem CID 104554515) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
PubChem CID104554515
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(C)C(C)CO
InChIInChI=1S/C10H21NO2/c1-5-10(3,8-13)7-11(4)9(2)6-12/h8-9,12H,5-7H2,1-4H3
InChIKeySLORKHLGCXDJAM-UHFFFAOYSA-N
XLogP0.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
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(4-methylpentan-2-yl)amino]methyl]butanal
CID 62276452
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
CID 79379227
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
CID 104554726
2-ethyl-2,6-dimethylheptanal
CID 57421645
2-methyl-2-[[methyl(propyl)amino]methyl]butanal
CID 62275627
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
CID 104554746
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
CID 62276624
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
CID 112664480
2-ethyl-2,8-dimethylnonanal
CID 122553667
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal (CID 104554515) is 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal is CCC(C)(C=O)CN(C)C(C)CO.
What is the InChIKey of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal?
The InChIKey is SLORKHLGCXDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(3,8-13)7-11(4)9(2)6-12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal?
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal has a molecular weight of 187.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal is sourced from PubChem (CID 104554515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).