2-(ethylamino)-2-(oxan-3-yl)acetonitrile

C9H16N2O — CID 63741653

IUPAC2-(ethylamino)-2-(oxan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCCOC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(6-10)8-4-3-5-12-7-8/h8-9,11H,2-5,7H2,1H3
InChIKeyNHTLDZDPSIKVFS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.91
Rot. Bonds3

About 2-(ethylamino)-2-(oxan-3-yl)acetonitrile

2-(ethylamino)-2-(oxan-3-yl)acetonitrile (PubChem CID 63741653) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(ethylamino)-2-(oxan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-(oxan-3-yl)acetonitrile
PubChem CID63741653
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(ethylamino)-2-(oxan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCCOC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(6-10)8-4-3-5-12-7-8/h8-9,11H,2-5,7H2,1H3
InChIKeyNHTLDZDPSIKVFS-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
CID 61002248
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
CID 107137018
3-pentan-3-yloxane
CID 15620798
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(oxan-3-yl)acetonitrile?
The IUPAC name of 2-(ethylamino)-2-(oxan-3-yl)acetonitrile (CID 63741653) is 2-(ethylamino)-2-(oxan-3-yl)acetonitrile.
What is the SMILES notation for 2-(ethylamino)-2-(oxan-3-yl)acetonitrile?
The canonical SMILES for 2-(ethylamino)-2-(oxan-3-yl)acetonitrile is CCNC(C#N)C1CCCOC1.
What is the InChIKey of 2-(ethylamino)-2-(oxan-3-yl)acetonitrile?
The InChIKey is NHTLDZDPSIKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-9(6-10)8-4-3-5-12-7-8/h8-9,11H,2-5,7H2,1H3.
What are the key properties of 2-(ethylamino)-2-(oxan-3-yl)acetonitrile?
2-(ethylamino)-2-(oxan-3-yl)acetonitrile has a molecular weight of 168.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(oxan-3-yl)acetonitrile is sourced from PubChem (CID 63741653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).