2-cyanoethyl(diethyl)azanium

C7H15N2+ — CID 6992150

IUPAC2-cyanoethyl(diethyl)azanium
SMILESCC[NH+](CC)CCC#N
InChIInChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3/p+1
InChIKeyLFFKXGFSDGRFQA-UHFFFAOYSA-O
MW127.21 g/mol
LogP-0.18
Rot. Bonds4

About 2-cyanoethyl(diethyl)azanium

2-cyanoethyl(diethyl)azanium (PubChem CID 6992150) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-cyanoethyl(diethyl)azanium.

Molecular Properties

Compound Name2-cyanoethyl(diethyl)azanium
PubChem CID6992150
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name2-cyanoethyl(diethyl)azanium
SMILESCC[NH+](CC)CCC#N
InChIInChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3/p+1
InChIKeyLFFKXGFSDGRFQA-UHFFFAOYSA-O
XLogP-0.18
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl(diethyl)azanium?
The IUPAC name of 2-cyanoethyl(diethyl)azanium (CID 6992150) is 2-cyanoethyl(diethyl)azanium.
What is the SMILES notation for 2-cyanoethyl(diethyl)azanium?
The canonical SMILES for 2-cyanoethyl(diethyl)azanium is CC[NH+](CC)CCC#N.
What is the InChIKey of 2-cyanoethyl(diethyl)azanium?
The InChIKey is LFFKXGFSDGRFQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3/p+1.
What are the key properties of 2-cyanoethyl(diethyl)azanium?
2-cyanoethyl(diethyl)azanium has a molecular weight of 127.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl(diethyl)azanium is sourced from PubChem (CID 6992150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).