(2,2-dimethyloxan-4-yl)azanium chloride

C7H16ClNO — CID 86675380

IUPAC(2,2-dimethyloxan-4-yl)azanium chloride
SMILESCC1(C)CC([NH3+])CCO1.[Cl-]
InChIInChI=1S/C7H15NO.ClH/c1-7(2)5-6(8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H
InChIKeyHDJOGFORYNQVNR-UHFFFAOYSA-N
MW165.66 g/mol
LogP-2.81
Rot. Bonds

About (2,2-dimethyloxan-4-yl)azanium chloride

(2,2-dimethyloxan-4-yl)azanium chloride (PubChem CID 86675380) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (2,2-dimethyloxan-4-yl)azanium chloride.

Molecular Properties

Compound Name(2,2-dimethyloxan-4-yl)azanium chloride
PubChem CID86675380
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(2,2-dimethyloxan-4-yl)azanium chloride
SMILESCC1(C)CC([NH3+])CCO1.[Cl-]
InChIInChI=1S/C7H15NO.ClH/c1-7(2)5-6(8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H
InChIKeyHDJOGFORYNQVNR-UHFFFAOYSA-N
XLogP-2.81
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethyloxan-4-amine hydrochloride
CID 67124190
2,2-Dimethyloxan-4-amine
CID 3809203
2,2,6,6-Tetramethyloxan-4-amine
CID 69672274
N,2,2-trimethyltetrahydro-2H-pyran-4-amine
CID 13764667
N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
(2,2-Dimethyloxan-4-yl)hydrazine hydrochloride
CID 75481342
N-ethyl-2,2-dimethyloxan-4-amine hydrochloride
CID 119031587
2,2-Dimethyloxan-3-amine hydrochloride
CID 138040216
2-Ethyl-2-methyloxan-4-amine hydrochloride
CID 167726170
N,2,2-trimethyloxan-4-aminehydrochloride
CID 141410410
2-Dimethy ltetrahydro-4-pyranone oxime
CID 82684595
2-Ethyl-2-methyloxan-4-amine
CID 64106470

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyloxan-4-yl)azanium chloride?
The IUPAC name of (2,2-dimethyloxan-4-yl)azanium chloride (CID 86675380) is (2,2-dimethyloxan-4-yl)azanium chloride.
What is the SMILES notation for (2,2-dimethyloxan-4-yl)azanium chloride?
The canonical SMILES for (2,2-dimethyloxan-4-yl)azanium chloride is CC1(C)CC([NH3+])CCO1.[Cl-].
What is the InChIKey of (2,2-dimethyloxan-4-yl)azanium chloride?
The InChIKey is HDJOGFORYNQVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(2)5-6(8)3-4-9-7;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of (2,2-dimethyloxan-4-yl)azanium chloride?
(2,2-dimethyloxan-4-yl)azanium chloride has a molecular weight of 165.66 g/mol, XLogP of -2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyloxan-4-yl)azanium chloride is sourced from PubChem (CID 86675380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).