2-methyl-2-morpholin-4-yloctanenitrile

C13H24N2O — CID 43803011

IUPAC2-methyl-2-morpholin-4-yloctanenitrile
SMILESCCCCCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-11H2,1-2H3
InChIKeyNLCHAFVIZVYPRL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-2-morpholin-4-yloctanenitrile

2-methyl-2-morpholin-4-yloctanenitrile (PubChem CID 43803011) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yloctanenitrile.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yloctanenitrile
PubChem CID43803011
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-2-morpholin-4-yloctanenitrile
SMILESCCCCCCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C13H24N2O/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-11H2,1-2H3
InChIKeyNLCHAFVIZVYPRL-UHFFFAOYSA-N
XLogP2.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Morpholinyl)cyclohexanecarbonitrile
CID 766257
1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
Cyclohexanecarbonitrile, 1-morpholino-, hydrochloride
CID 3055640
2-Fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
cis-(1R,2R)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 168327546
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 46894283
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexanenitrile
CID 116536039
4-(2-Methylheptan-2-yl)morpholine
CID 9899227
2-Cyclohexyl-2-morpholin-4-ylacetonitrile
CID 12069857
2-Morpholin-4-yloctanenitrile
CID 13437383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yloctanenitrile?
The IUPAC name of 2-methyl-2-morpholin-4-yloctanenitrile (CID 43803011) is 2-methyl-2-morpholin-4-yloctanenitrile.
What is the SMILES notation for 2-methyl-2-morpholin-4-yloctanenitrile?
The canonical SMILES for 2-methyl-2-morpholin-4-yloctanenitrile is CCCCCCC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yloctanenitrile?
The InChIKey is NLCHAFVIZVYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-4-5-6-7-13(2,12-14)15-8-10-16-11-9-15/h3-11H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yloctanenitrile?
2-methyl-2-morpholin-4-yloctanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.57, 6 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-yloctanenitrile is sourced from PubChem (CID 43803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).