1,1-dimethoxy-2-methylprop-2-en-1-amine

C6H13NO2 — CID 151876264

IUPAC1,1-dimethoxy-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)(OC)OC
InChIInChI=1S/C6H13NO2/c1-5(2)6(7,8-3)9-4/h1,7H2,2-4H3
InChIKeySNSZIIPOTHJQCP-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.47
Rot. Bonds3

About 1,1-dimethoxy-2-methylprop-2-en-1-amine

1,1-dimethoxy-2-methylprop-2-en-1-amine (PubChem CID 151876264) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1,1-dimethoxy-2-methylprop-2-en-1-amine
PubChem CID151876264
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1,1-dimethoxy-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)(OC)OC
InChIInChI=1S/C6H13NO2/c1-5(2)6(7,8-3)9-4/h1,7H2,2-4H3
InChIKeySNSZIIPOTHJQCP-UHFFFAOYSA-N
XLogP0.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methylprop-2-en-1-amine?
The IUPAC name of 1,1-dimethoxy-2-methylprop-2-en-1-amine (CID 151876264) is 1,1-dimethoxy-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1,1-dimethoxy-2-methylprop-2-en-1-amine?
The canonical SMILES for 1,1-dimethoxy-2-methylprop-2-en-1-amine is C=C(C)C(N)(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-methylprop-2-en-1-amine?
The InChIKey is SNSZIIPOTHJQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)6(7,8-3)9-4/h1,7H2,2-4H3.
What are the key properties of 1,1-dimethoxy-2-methylprop-2-en-1-amine?
1,1-dimethoxy-2-methylprop-2-en-1-amine has a molecular weight of 131.17 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methylprop-2-en-1-amine is sourced from PubChem (CID 151876264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).