1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine

C9H18N2O — CID 166870543

IUPAC1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine
SMILESC=C(NC)N1CCOC(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-8(10-4)11-5-6-12-9(2,3)7-11/h10H,1,5-7H2,2-4H3
InChIKeyPDOYVQYBIIRAIQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds2

About 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine

1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine (PubChem CID 166870543) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine
PubChem CID166870543
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine
SMILESC=C(NC)N1CCOC(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-8(10-4)11-5-6-12-9(2,3)7-11/h10H,1,5-7H2,2-4H3
InChIKeyPDOYVQYBIIRAIQ-UHFFFAOYSA-N
XLogP0.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethylmorpholine-4-carbothioamide
CID 115580682
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
CID 115580686
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119732360
1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
CID 43593160
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
2-chloro-1-(2,2-dimethyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 130871596
(2,2-dimethylmorpholin-4-yl)-(3-methylimidazol-3-ium-1-yl)methanone
CID 43593134

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine (CID 166870543) is 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine is C=C(NC)N1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine?
The InChIKey is PDOYVQYBIIRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10-4)11-5-6-12-9(2,3)7-11/h10H,1,5-7H2,2-4H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine?
1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine has a molecular weight of 170.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-N-methylethenamine is sourced from PubChem (CID 166870543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).