4-amino-2,6-dimethyloxane-4-carbonitrile

C8H14N2O — CID 21355740

IUPAC4-amino-2,6-dimethyloxane-4-carbonitrile
SMILESCC1CC(N)(C#N)CC(C)O1
InChIInChI=1S/C8H14N2O/c1-6-3-8(10,5-9)4-7(2)11-6/h6-7H,3-4,10H2,1-2H3
InChIKeyWWCPZKLPHCMOSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.79
Rot. Bonds

About 4-amino-2,6-dimethyloxane-4-carbonitrile

4-amino-2,6-dimethyloxane-4-carbonitrile (PubChem CID 21355740) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-amino-2,6-dimethyloxane-4-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-dimethyloxane-4-carbonitrile
PubChem CID21355740
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-amino-2,6-dimethyloxane-4-carbonitrile
SMILESCC1CC(N)(C#N)CC(C)O1
InChIInChI=1S/C8H14N2O/c1-6-3-8(10,5-9)4-7(2)11-6/h6-7H,3-4,10H2,1-2H3
InChIKeyWWCPZKLPHCMOSM-UHFFFAOYSA-N
XLogP0.79
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trimethyloxan-4-amine
CID 18437324
2H-Pyran-4-carbonitrile, 4-aminotetrahydro-2-methyl-
CID 21355741
2-Methyl-4-(methylamino)oxane-4-carbonitrile
CID 64108072
(2R)-2,4,6-trimethyloxan-4-amine
CID 142976629
4-Amino-2,2-dimethyloxane-4-carbonitrile
CID 12219534
4-Aminotetrahydro-2,5-dimethyl-2H-pyran-4-carbonitrile
CID 12405855
2-Amino-2-methyl-4-(2-methylcyclohexyl)oxybutanenitrile
CID 61897761
2-Amino-2-methyl-4-(3-methylcyclohexyl)oxybutanenitrile
CID 61898375
2-Amino-4-(2-ethylhexoxy)-2-methylbutanenitrile
CID 61898994
2-Amino-2-methyl-4-(4-methylcyclohexyl)oxybutanenitrile
CID 61899221
2-Amino-2-methyl-5-(4-methylcyclohexyl)oxypentanenitrile
CID 61906505
2-Amino-5-cyclohexyloxy-2-methylpentanenitrile
CID 61907381

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyloxane-4-carbonitrile?
The IUPAC name of 4-amino-2,6-dimethyloxane-4-carbonitrile (CID 21355740) is 4-amino-2,6-dimethyloxane-4-carbonitrile.
What is the SMILES notation for 4-amino-2,6-dimethyloxane-4-carbonitrile?
The canonical SMILES for 4-amino-2,6-dimethyloxane-4-carbonitrile is CC1CC(N)(C#N)CC(C)O1.
What is the InChIKey of 4-amino-2,6-dimethyloxane-4-carbonitrile?
The InChIKey is WWCPZKLPHCMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-3-8(10,5-9)4-7(2)11-6/h6-7H,3-4,10H2,1-2H3.
What are the key properties of 4-amino-2,6-dimethyloxane-4-carbonitrile?
4-amino-2,6-dimethyloxane-4-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyloxane-4-carbonitrile is sourced from PubChem (CID 21355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).