acetonitrile;azane;2,2-diethylbutanoic acid

C10H22N2O2 — CID 175092493

IUPACacetonitrile;azane;2,2-diethylbutanoic acid
SMILESCC#N.CCC(CC)(CC)C(=O)O.N
InChIInChI=1S/C8H16O2.C2H3N.H3N/c1-4-8(5-2,6-3)7(9)10;1-2-3;/h4-6H2,1-3H3,(H,9,10);1H3;1H3
InChIKeyVOISACXZIBPHAK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.98
Rot. Bonds4

About acetonitrile;azane;2,2-diethylbutanoic acid

acetonitrile;azane;2,2-diethylbutanoic acid (PubChem CID 175092493) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is acetonitrile;azane;2,2-diethylbutanoic acid.

Molecular Properties

Compound Nameacetonitrile;azane;2,2-diethylbutanoic acid
PubChem CID175092493
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameacetonitrile;azane;2,2-diethylbutanoic acid
SMILESCC#N.CCC(CC)(CC)C(=O)O.N
InChIInChI=1S/C8H16O2.C2H3N.H3N/c1-4-8(5-2,6-3)7(9)10;1-2-3;/h4-6H2,1-3H3,(H,9,10);1H3;1H3
InChIKeyVOISACXZIBPHAK-UHFFFAOYSA-N
XLogP2.98
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze acetonitrile;azane;2,2-diethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2,2-diethylbutanoic acid
CID 173369262
acetic acid;2,2-diethylbutanoic acid
CID 162011618
2,2-diethylbutanoic acid;tetrapropylazanium
CID 160796850
acetonitrile;azane;carbonic acid;methanol
CID 174612682
acetonitrile;bis(2,2,2-trifluoroacetic acid)
CID 162064133
acetonitrile;propane;propan-2-one
CID 18955680
2-(cyanomethyl)-2-propylpentanoic acid
CID 144903309
acetonitrile;methanol;2,2,2-trifluoroacetic acid;hydrate
CID 173127305
acetonitrile;azane;ethanol
CID 87739333
acetic acid;pentakis(acetonitrile)
CID 173433569
acetonitrile;azane;ethanol;hydrate
CID 173069491
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694

Frequently Asked Questions

What is the IUPAC name of acetonitrile;azane;2,2-diethylbutanoic acid?
The IUPAC name of acetonitrile;azane;2,2-diethylbutanoic acid (CID 175092493) is acetonitrile;azane;2,2-diethylbutanoic acid.
What is the SMILES notation for acetonitrile;azane;2,2-diethylbutanoic acid?
The canonical SMILES for acetonitrile;azane;2,2-diethylbutanoic acid is CC#N.CCC(CC)(CC)C(=O)O.N.
What is the InChIKey of acetonitrile;azane;2,2-diethylbutanoic acid?
The InChIKey is VOISACXZIBPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H3N.H3N/c1-4-8(5-2,6-3)7(9)10;1-2-3;/h4-6H2,1-3H3,(H,9,10);1H3;1H3.
What are the key properties of acetonitrile;azane;2,2-diethylbutanoic acid?
acetonitrile;azane;2,2-diethylbutanoic acid has a molecular weight of 202.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;azane;2,2-diethylbutanoic acid is sourced from PubChem (CID 175092493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).