1,1-dimethoxybutan-2-amine;hydrochloride

C6H16ClNO2 — CID 86775568

IUPAC1,1-dimethoxybutan-2-amine;hydrochloride
SMILESCCC(N)C(OC)OC.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-4-5(7)6(8-2)9-3;/h5-6H,4,7H2,1-3H3;1H
InChIKeyBQOQGQLXRDLTLQ-UHFFFAOYSA-N
MW169.65 g/mol
LogP0.76
Rot. Bonds4

About 1,1-dimethoxybutan-2-amine;hydrochloride

1,1-dimethoxybutan-2-amine;hydrochloride (PubChem CID 86775568) has the molecular formula C6H16ClNO2 and a molecular weight of 169.65 g/mol. Its IUPAC name is 1,1-dimethoxybutan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dimethoxybutan-2-amine;hydrochloride
PubChem CID86775568
Molecular FormulaC6H16ClNO2
Molecular Weight169.65 g/mol
Exact Mass169.09
IUPAC Name1,1-dimethoxybutan-2-amine;hydrochloride
SMILESCCC(N)C(OC)OC.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-4-5(7)6(8-2)9-3;/h5-6H,4,7H2,1-3H3;1H
InChIKeyBQOQGQLXRDLTLQ-UHFFFAOYSA-N
XLogP0.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1-dimethoxybutan-2-amine;hydrochloride?
The IUPAC name of 1,1-dimethoxybutan-2-amine;hydrochloride (CID 86775568) is 1,1-dimethoxybutan-2-amine;hydrochloride.
What is the SMILES notation for 1,1-dimethoxybutan-2-amine;hydrochloride?
The canonical SMILES for 1,1-dimethoxybutan-2-amine;hydrochloride is CCC(N)C(OC)OC.Cl.
What is the InChIKey of 1,1-dimethoxybutan-2-amine;hydrochloride?
The InChIKey is BQOQGQLXRDLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.ClH/c1-4-5(7)6(8-2)9-3;/h5-6H,4,7H2,1-3H3;1H.
What are the key properties of 1,1-dimethoxybutan-2-amine;hydrochloride?
1,1-dimethoxybutan-2-amine;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxybutan-2-amine;hydrochloride is sourced from PubChem (CID 86775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).