3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride

C6H16ClNO — CID 46782157

IUPAC3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOCC(C)(C)CN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,4-7)5-8-3;/h4-5,7H2,1-3H3;1H
InChIKeyIXJYFALFWJVGKE-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.04
Rot. Bonds3

About 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride

3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 46782157) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID46782157
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCOCC(C)(C)CN.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(2,4-7)5-8-3;/h4-5,7H2,1-3H3;1H
InChIKeyIXJYFALFWJVGKE-UHFFFAOYSA-N
XLogP1.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride (CID 46782157) is 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride is COCC(C)(C)CN.Cl.
What is the InChIKey of 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is IXJYFALFWJVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(2,4-7)5-8-3;/h4-5,7H2,1-3H3;1H.
What are the key properties of 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride?
3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 46782157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).