1-methoxy-3-methylbutan-1-amine;hydrochloride

C6H16ClNO — CID 87312680

IUPAC1-methoxy-3-methylbutan-1-amine;hydrochloride
SMILESCOC(N)CC(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-5(2)4-6(7)8-3;/h5-6H,4,7H2,1-3H3;1H
InChIKeyDCBQIXLVJQQFJB-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.39
Rot. Bonds3

About 1-methoxy-3-methylbutan-1-amine;hydrochloride

1-methoxy-3-methylbutan-1-amine;hydrochloride (PubChem CID 87312680) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 1-methoxy-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-methoxy-3-methylbutan-1-amine;hydrochloride
PubChem CID87312680
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name1-methoxy-3-methylbutan-1-amine;hydrochloride
SMILESCOC(N)CC(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-5(2)4-6(7)8-3;/h5-6H,4,7H2,1-3H3;1H
InChIKeyDCBQIXLVJQQFJB-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 1-methoxy-3-methylbutan-1-amine;hydrochloride (CID 87312680) is 1-methoxy-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 1-methoxy-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 1-methoxy-3-methylbutan-1-amine;hydrochloride is COC(N)CC(C)C.Cl.
What is the InChIKey of 1-methoxy-3-methylbutan-1-amine;hydrochloride?
The InChIKey is DCBQIXLVJQQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-5(2)4-6(7)8-3;/h5-6H,4,7H2,1-3H3;1H.
What are the key properties of 1-methoxy-3-methylbutan-1-amine;hydrochloride?
1-methoxy-3-methylbutan-1-amine;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 87312680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).