1,1-dimethoxypropan-2-amine;hydrochloride

C5H14ClNO2 — CID 141204593

IUPAC1,1-dimethoxypropan-2-amine;hydrochloride
SMILESCOC(OC)C(C)N.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-4(6)5(7-2)8-3;/h4-5H,6H2,1-3H3;1H
InChIKeyKXBLTHIUXDFCRN-UHFFFAOYSA-N
MW155.62 g/mol
LogP0.37
Rot. Bonds3

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

1,1-dimethoxypropan-2-amine;hydrochloride (PubChem CID 141204593) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 1,1-dimethoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dimethoxypropan-2-amine;hydrochloride
PubChem CID141204593
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name1,1-dimethoxypropan-2-amine;hydrochloride
SMILESCOC(OC)C(C)N.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-4(6)5(7-2)8-3;/h4-5H,6H2,1-3H3;1H
InChIKeyKXBLTHIUXDFCRN-UHFFFAOYSA-N
XLogP0.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 50.37
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-dimethoxypropan-2-amine;hydrochloride?
The IUPAC name of 1,1-dimethoxypropan-2-amine;hydrochloride (CID 141204593) is 1,1-dimethoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1,1-dimethoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1,1-dimethoxypropan-2-amine;hydrochloride is COC(OC)C(C)N.Cl.
What is the InChIKey of 1,1-dimethoxypropan-2-amine;hydrochloride?
The InChIKey is KXBLTHIUXDFCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-4(6)5(7-2)8-3;/h4-5H,6H2,1-3H3;1H.
What are the key properties of 1,1-dimethoxypropan-2-amine;hydrochloride?
1,1-dimethoxypropan-2-amine;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 141204593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).