2-methyl-2-morpholin-4-ylpentanenitrile

C10H18N2O — CID 43803018

IUPAC2-methyl-2-morpholin-4-ylpentanenitrile
SMILESCCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-4-10(2,9-11)12-5-7-13-8-6-12/h3-8H2,1-2H3
InChIKeyPHVWVJSIUGPKDV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.40
Rot. Bonds3

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

2-methyl-2-morpholin-4-ylpentanenitrile (PubChem CID 43803018) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylpentanenitrile
PubChem CID43803018
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-2-morpholin-4-ylpentanenitrile
SMILESCCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-4-10(2,9-11)12-5-7-13-8-6-12/h3-8H2,1-2H3
InChIKeyPHVWVJSIUGPKDV-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Morpholinyl)cyclohexanecarbonitrile
CID 766257
4-Cyanopentylmorpholine
CID 97017
1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
3-Fluoro-4-methyl-2-morpholin-4-ylpentanenitrile
CID 46894405
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
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
CID 116536039
4-Piperidinecarbonitrile, 1-(2-methoxyethyl)-
CID 39236243
4-(2,4,4-Trimethylpentan-2-yl)morpholine
CID 10750505

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylpentanenitrile?
The IUPAC name of 2-methyl-2-morpholin-4-ylpentanenitrile (CID 43803018) is 2-methyl-2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylpentanenitrile?
The canonical SMILES for 2-methyl-2-morpholin-4-ylpentanenitrile is CCCC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylpentanenitrile?
The InChIKey is PHVWVJSIUGPKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-10(2,9-11)12-5-7-13-8-6-12/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-ylpentanenitrile?
2-methyl-2-morpholin-4-ylpentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 43803018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).