(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride

C7H19ClNO+ — CID 159831853

IUPAC(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride
SMILESCOCC(C)C[NH+](C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(6-9-4)5-8(2)3;/h7H,5-6H2,1-4H3;1H/p+1
InChIKeyMPZNKDYFJBHVAH-UHFFFAOYSA-O
MW168.69 g/mol
LogP-0.16
Rot. Bonds4

About (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride

(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride (PubChem CID 159831853) has the molecular formula C7H19ClNO+ and a molecular weight of 168.69 g/mol. Its IUPAC name is (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride.

Molecular Properties

Compound Name(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride
PubChem CID159831853
Molecular FormulaC7H19ClNO+
Molecular Weight168.69 g/mol
Exact Mass168.11
IUPAC Name(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride
SMILESCOCC(C)C[NH+](C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-7(6-9-4)5-8(2)3;/h7H,5-6H2,1-4H3;1H/p+1
InChIKeyMPZNKDYFJBHVAH-UHFFFAOYSA-O
XLogP-0.16
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride?
The IUPAC name of (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride (CID 159831853) is (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride.
What is the SMILES notation for (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride?
The canonical SMILES for (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride is COCC(C)C[NH+](C)C.Cl.
What is the InChIKey of (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride?
The InChIKey is MPZNKDYFJBHVAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NO.ClH/c1-7(6-9-4)5-8(2)3;/h7H,5-6H2,1-4H3;1H/p+1.
What are the key properties of (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride?
(3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylpropyl)-dimethylazanium;hydrochloride is sourced from PubChem (CID 159831853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).