2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile

C10H19N3O — CID 78946650

IUPAC2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
SMILESCCN1CCOC(CN(C)CC#N)C1
InChIInChI=1S/C10H19N3O/c1-3-13-6-7-14-10(9-13)8-12(2)5-4-11/h10H,3,5-9H2,1-2H3
InChIKeyXJYXZMMBKYLOKO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.16
Rot. Bonds4

About 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile

2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile (PubChem CID 78946650) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
PubChem CID78946650
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
SMILESCCN1CCOC(CN(C)CC#N)C1
InChIInChI=1S/C10H19N3O/c1-3-13-6-7-14-10(9-13)8-12(2)5-4-11/h10H,3,5-9H2,1-2H3
InChIKeyXJYXZMMBKYLOKO-UHFFFAOYSA-N
XLogP0.16
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
2,4-diethylmorpholine
CID 58988021
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylazetidin-3-amine
CID 79182019
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
4-ethyl-2-propylmorpholine
CID 127673597

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile (CID 78946650) is 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile is CCN1CCOC(CN(C)CC#N)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile?
The InChIKey is XJYXZMMBKYLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13-6-7-14-10(9-13)8-12(2)5-4-11/h10H,3,5-9H2,1-2H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile?
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile has a molecular weight of 197.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile is sourced from PubChem (CID 78946650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).