1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine

C7H14N2O — CID 170228548

IUPAC1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine
SMILESC=NCC(=C)C(NC)OC
InChIInChI=1S/C7H14N2O/c1-6(5-8-2)7(9-3)10-4/h7,9H,1-2,5H2,3-4H3
InChIKeyDCSMXNGZMMEHGV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.44
Rot. Bonds5

About 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine

1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine (PubChem CID 170228548) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine
PubChem CID170228548
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine
SMILESC=NCC(=C)C(NC)OC
InChIInChI=1S/C7H14N2O/c1-6(5-8-2)7(9-3)10-4/h7,9H,1-2,5H2,3-4H3
InChIKeyDCSMXNGZMMEHGV-UHFFFAOYSA-N
XLogP0.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.44
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine?
The IUPAC name of 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine (CID 170228548) is 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine.
What is the SMILES notation for 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine?
The canonical SMILES for 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine is C=NCC(=C)C(NC)OC.
What is the InChIKey of 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine?
The InChIKey is DCSMXNGZMMEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(5-8-2)7(9-3)10-4/h7,9H,1-2,5H2,3-4H3.
What are the key properties of 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine?
1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine has a molecular weight of 142.20 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-2-[(methylideneamino)methyl]prop-2-en-1-amine is sourced from PubChem (CID 170228548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).