N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine

C6H12N2O — CID 11252014

IUPACN-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine
SMILESC=CCNC/C=N/OC
InChIInChI=1S/C6H12N2O/c1-3-4-7-5-6-8-9-2/h3,6-7H,1,4-5H2,2H3/b8-6+
InChIKeyHXWKYZGWRMTAFW-SOFGYWHQSA-N
MW128.17 g/mol
LogP0.39
Rot. Bonds5

About N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine

N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine (PubChem CID 11252014) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine
PubChem CID11252014
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine
SMILESC=CCNC/C=N/OC
InChIInChI=1S/C6H12N2O/c1-3-4-7-5-6-8-9-2/h3,6-7H,1,4-5H2,2H3/b8-6+
InChIKeyHXWKYZGWRMTAFW-SOFGYWHQSA-N
XLogP0.39
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine?
The IUPAC name of N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine (CID 11252014) is N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine?
The canonical SMILES for N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine is C=CCNC/C=N/OC.
What is the InChIKey of N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine?
The InChIKey is HXWKYZGWRMTAFW-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-7-5-6-8-9-2/h3,6-7H,1,4-5H2,2H3/b8-6+.
What are the key properties of N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine?
N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine has a molecular weight of 128.17 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-methoxyiminoethyl]prop-2-en-1-amine is sourced from PubChem (CID 11252014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).