2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride

C7H18ClNO — CID 146082155

IUPAC2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride
SMILESCNCC(OC)C(C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)7(9-4)5-8-3;/h6-8H,5H2,1-4H3;1H
InChIKeyLYLWZLXGIPTUQJ-UHFFFAOYSA-N
MW167.68 g/mol
LogP1.30
Rot. Bonds4

About 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride

2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride (PubChem CID 146082155) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride
PubChem CID146082155
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Name2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride
SMILESCNCC(OC)C(C)C.Cl
InChIInChI=1S/C7H17NO.ClH/c1-6(2)7(9-4)5-8-3;/h6-8H,5H2,1-4H3;1H
InChIKeyLYLWZLXGIPTUQJ-UHFFFAOYSA-N
XLogP1.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride (CID 146082155) is 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride is CNCC(OC)C(C)C.Cl.
What is the InChIKey of 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride?
The InChIKey is LYLWZLXGIPTUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.ClH/c1-6(2)7(9-4)5-8-3;/h6-8H,5H2,1-4H3;1H.
What are the key properties of 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride?
2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride has a molecular weight of 167.68 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3-dimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 146082155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).