2-methyl-5-morpholin-4-ylpentanenitrile

C10H18N2O — CID 142227789

IUPAC2-methyl-5-morpholin-4-ylpentanenitrile
SMILESCC(C#N)CCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3
InChIKeyFSMYBRQLZRIYJO-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-5-morpholin-4-ylpentanenitrile

2-methyl-5-morpholin-4-ylpentanenitrile (PubChem CID 142227789) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylpentanenitrile
PubChem CID142227789
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-5-morpholin-4-ylpentanenitrile
SMILESCC(C#N)CCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3
InChIKeyFSMYBRQLZRIYJO-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyanopentylmorpholine
CID 97017
4-(2-Methylpentyl)morpholine
CID 20201055
4-(3,4-Dimethylpentyl)morpholine
CID 15370628
3-Fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
CID 46894405
4-(2-Methylhexyl)morpholine
CID 102491214
1-[2-(2-Methylpropoxy)ethyl]piperidine-4-carbonitrile
CID 121524183
2-Morpholino-3-methylbutyronitrile
CID 17562223
2-Morpholin-4-ylpentanenitrile
CID 19064099
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
2-(Morpholinomethyl)-4-oxopentanenitrile
CID 168654931
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-3-carbonitrile
CID 64442769
1-[2-(Trifluoromethoxy)ethyl]piperidine-3-carbonitrile
CID 65804080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylpentanenitrile?
The IUPAC name of 2-methyl-5-morpholin-4-ylpentanenitrile (CID 142227789) is 2-methyl-5-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylpentanenitrile?
The canonical SMILES for 2-methyl-5-morpholin-4-ylpentanenitrile is CC(C#N)CCCN1CCOCC1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylpentanenitrile?
The InChIKey is FSMYBRQLZRIYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(9-11)3-2-4-12-5-7-13-8-6-12/h10H,2-8H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-ylpentanenitrile?
2-methyl-5-morpholin-4-ylpentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 142227789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).