2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile

C15H26N2O3 — CID 102932751

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-12(3)20-13(9-17)10-18/h12-13,18H,4-10H2,1-3H3
InChIKeyCMSAUIQPCRVMAI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile (PubChem CID 102932751) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile
PubChem CID102932751
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-12(3)20-13(9-17)10-18/h12-13,18H,4-10H2,1-3H3
InChIKeyCMSAUIQPCRVMAI-UHFFFAOYSA-N
XLogP1.70
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119751448
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]sulfanylacetonitrile
CID 102934544
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-(3,6-dihydro-2H-pyridine-1-carbonyl)-2-propylpentanenitrile
CID 114409960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile (CID 102932751) is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile?
The InChIKey is CMSAUIQPCRVMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-6-15(11-16,7-5-2)14(19)17-8-12(3)20-13(9-17)10-18/h12-13,18H,4-10H2,1-3H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile?
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile has a molecular weight of 282.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile is sourced from PubChem (CID 102932751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).