2-(4-propan-2-ylmorpholin-2-yl)acetonitrile

C9H16N2O — CID 64534117

IUPAC2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
SMILESCC(C)N1CCOC(CC#N)C1
InChIInChI=1S/C9H16N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10/h8-9H,3,5-7H2,1-2H3
InChIKeyXIDPOSMGERIXCR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile

2-(4-propan-2-ylmorpholin-2-yl)acetonitrile (PubChem CID 64534117) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
PubChem CID64534117
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
SMILESCC(C)N1CCOC(CC#N)C1
InChIInChI=1S/C9H16N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10/h8-9H,3,5-7H2,1-2H3
InChIKeyXIDPOSMGERIXCR-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
2-(2-piperidin-1-ylpropyl)-4-propan-2-ylmorpholine
CID 170192715
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
2-methyl-4-propan-2-ylmorpholine
CID 176666634
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 66233245
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile (CID 64534117) is 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile is CC(C)N1CCOC(CC#N)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile?
The InChIKey is XIDPOSMGERIXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)11-5-6-12-9(7-11)3-4-10/h8-9H,3,5-7H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile?
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)acetonitrile is sourced from PubChem (CID 64534117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).