1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride

C7H16ClNO — CID 122163976

IUPAC1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCNC(C)COC.Cl
InChIInChI=1S/C7H15NO.ClH/c1-4-5-8-7(2)6-9-3;/h4,7-8H,1,5-6H2,2-3H3;1H
InChIKeyHAWMTDXRIULFNC-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.22
Rot. Bonds5

About 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride

1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride (PubChem CID 122163976) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride
PubChem CID122163976
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCNC(C)COC.Cl
InChIInChI=1S/C7H15NO.ClH/c1-4-5-8-7(2)6-9-3;/h4,7-8H,1,5-6H2,2-3H3;1H
InChIKeyHAWMTDXRIULFNC-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride?
The IUPAC name of 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride (CID 122163976) is 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride is C=CCNC(C)COC.Cl.
What is the InChIKey of 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride?
The InChIKey is HAWMTDXRIULFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-4-5-8-7(2)6-9-3;/h4,7-8H,1,5-6H2,2-3H3;1H.
What are the key properties of 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride?
1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-prop-2-enylpropan-2-amine;hydrochloride is sourced from PubChem (CID 122163976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).