2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal

C10H19NO2 — CID 62276745

IUPAC2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal
SMILESCC1CN(CC(C)(C)C=O)CCO1
InChIInChI=1S/C10H19NO2/c1-9-6-11(4-5-13-9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3
InChIKeyBFEKJGAAWIPURF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal

2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal (PubChem CID 62276745) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal
PubChem CID62276745
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal
SMILESCC1CN(CC(C)(C)C=O)CCO1
InChIInChI=1S/C10H19NO2/c1-9-6-11(4-5-13-9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3
InChIKeyBFEKJGAAWIPURF-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
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

N,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 62848033
2,2-dimethyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 62271256
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanal
CID 79183438
1-amino-2-methyl-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 64818772
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329
(2R)-3,3-dimethyl-1-(2-methylmorpholin-4-yl)butan-2-amine
CID 130522025
1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoic acid
CID 63907482
2-methyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-ol
CID 62271259

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal (CID 62276745) is 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal is CC1CN(CC(C)(C)C=O)CCO1.
What is the InChIKey of 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal?
The InChIKey is BFEKJGAAWIPURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-6-11(4-5-13-9)7-10(2,3)8-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal?
2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal is sourced from PubChem (CID 62276745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).