N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile

C12H24N2O — CID 158767519

IUPACN,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
SMILESCCN(CC)CC.N#CCC1CCCO1
InChIInChI=1S/C6H9NO.C6H15N/c7-4-3-6-2-1-5-8-6;1-4-7(5-2)6-3/h6H,1-3,5H2;4-6H2,1-3H3
InChIKeyIPLHBOSODIZAJN-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.43
Rot. Bonds4

About N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile

N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile (PubChem CID 158767519) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile.

Molecular Properties

Compound NameN,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
PubChem CID158767519
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
SMILESCCN(CC)CC.N#CCC1CCCO1
InChIInChI=1S/C6H9NO.C6H15N/c7-4-3-6-2-1-5-8-6;1-4-7(5-2)6-3/h6H,1-3,5H2;4-6H2,1-3H3
InChIKeyIPLHBOSODIZAJN-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
(2R)-2-ethyloxolane
CID 641529
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
azane;2-ethyloxolane
CID 174465001
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
2-[5,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]acetonitrile
CID 117018587
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile?
The IUPAC name of N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile (CID 158767519) is N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile.
What is the SMILES notation for N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile?
The canonical SMILES for N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile is CCN(CC)CC.N#CCC1CCCO1.
What is the InChIKey of N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile?
The InChIKey is IPLHBOSODIZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H15N/c7-4-3-6-2-1-5-8-6;1-4-7(5-2)6-3/h6H,1-3,5H2;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile?
N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile has a molecular weight of 212.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile is sourced from PubChem (CID 158767519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).