2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal

C11H21NO2 — CID 130820242

IUPAC2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
SMILESCC1CC(N(C)C(C)(C)C=O)C(C)O1
InChIInChI=1S/C11H21NO2/c1-8-6-10(9(2)14-8)12(5)11(3,4)7-13/h7-10H,6H2,1-5H3
InChIKeyCDYDHTIGVFEDLC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds3

About 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal

2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal (PubChem CID 130820242) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal.

Molecular Properties

Compound Name2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
PubChem CID130820242
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
SMILESCC1CC(N(C)C(C)(C)C=O)C(C)O1
InChIInChI=1S/C11H21NO2/c1-8-6-10(9(2)14-8)12(5)11(3,4)7-13/h7-10H,6H2,1-5H3
InChIKeyCDYDHTIGVFEDLC-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
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

tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
CID 118638510
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
2-[cycloheptyl(methyl)amino]-2-methylpropanal
CID 130979617
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
CID 130917950
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 131207453
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
2,3,4,6-tetramethyloxane
CID 20816370
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal?
The IUPAC name of 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal (CID 130820242) is 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal.
What is the SMILES notation for 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal?
The canonical SMILES for 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal is CC1CC(N(C)C(C)(C)C=O)C(C)O1.
What is the InChIKey of 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal?
The InChIKey is CDYDHTIGVFEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-10(9(2)14-8)12(5)11(3,4)7-13/h7-10H,6H2,1-5H3.
What are the key properties of 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal?
2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal has a molecular weight of 199.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal is sourced from PubChem (CID 130820242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).