4-(diethylamino)oxane-4-carbonitrile

C10H18N2O — CID 43802728

IUPAC4-(diethylamino)oxane-4-carbonitrile
SMILESCCN(CC)C1(C#N)CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)10(9-11)5-7-13-8-6-10/h3-8H2,1-2H3
InChIKeyGACPTZJYJXNEAV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.40
Rot. Bonds3

About 4-(diethylamino)oxane-4-carbonitrile

4-(diethylamino)oxane-4-carbonitrile (PubChem CID 43802728) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(diethylamino)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)oxane-4-carbonitrile
PubChem CID43802728
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(diethylamino)oxane-4-carbonitrile
SMILESCCN(CC)C1(C#N)CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)10(9-11)5-7-13-8-6-10/h3-8H2,1-2H3
InChIKeyGACPTZJYJXNEAV-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

8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
1-(diethylamino)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43802703
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429
1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65085850
4-butyloxane-4-carbonitrile
CID 65392922
3-(dibenzylamino)oxolane-3-carbonitrile
CID 71254443
1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile
CID 164650451
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999
4-(chloromethyl)oxane-4-carbonitrile
CID 130559171
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 117039634

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)oxane-4-carbonitrile?
The IUPAC name of 4-(diethylamino)oxane-4-carbonitrile (CID 43802728) is 4-(diethylamino)oxane-4-carbonitrile.
What is the SMILES notation for 4-(diethylamino)oxane-4-carbonitrile?
The canonical SMILES for 4-(diethylamino)oxane-4-carbonitrile is CCN(CC)C1(C#N)CCOCC1.
What is the InChIKey of 4-(diethylamino)oxane-4-carbonitrile?
The InChIKey is GACPTZJYJXNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12(4-2)10(9-11)5-7-13-8-6-10/h3-8H2,1-2H3.
What are the key properties of 4-(diethylamino)oxane-4-carbonitrile?
4-(diethylamino)oxane-4-carbonitrile 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 4-(diethylamino)oxane-4-carbonitrile is sourced from PubChem (CID 43802728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).