3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile

C12H23N3O — CID 79164880

IUPAC3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
SMILESCCN1CCOC(CN(C)C(C)CC#N)C1
InChIInChI=1S/C12H23N3O/c1-4-15-7-8-16-12(10-15)9-14(3)11(2)5-6-13/h11-12H,4-5,7-10H2,1-3H3
InChIKeyMHHXTKITKDTTSK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.94
Rot. Bonds5

About 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile

3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile (PubChem CID 79164880) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
PubChem CID79164880
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
SMILESCCN1CCOC(CN(C)C(C)CC#N)C1
InChIInChI=1S/C12H23N3O/c1-4-15-7-8-16-12(10-15)9-14(3)11(2)5-6-13/h11-12H,4-5,7-10H2,1-3H3
InChIKeyMHHXTKITKDTTSK-UHFFFAOYSA-N
XLogP0.94
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
CID 112689933
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
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-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513
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'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile (CID 79164880) is 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile is CCN1CCOC(CN(C)C(C)CC#N)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile?
The InChIKey is MHHXTKITKDTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-15-7-8-16-12(10-15)9-14(3)11(2)5-6-13/h11-12H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile?
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile is sourced from PubChem (CID 79164880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).