N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide

C6H12N2O — CID 163422703

IUPACN-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)OC
InChIInChI=1S/C6H12N2O/c1-6(2)7-5-8(3)9-4/h5H,1H2,2-4H3/b7-5+
InChIKeyAJUPZUMNUAYABI-FNORWQNLSA-N
MW128.17 g/mol
LogP1.04
Rot. Bonds3

About N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide

N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 163422703) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
PubChem CID163422703
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N(C)OC
InChIInChI=1S/C6H12N2O/c1-6(2)7-5-8(3)9-4/h5H,1H2,2-4H3/b7-5+
InChIKeyAJUPZUMNUAYABI-FNORWQNLSA-N
XLogP1.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide (CID 163422703) is N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is AJUPZUMNUAYABI-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)7-5-8(3)9-4/h5H,1H2,2-4H3/b7-5+.
What are the key properties of N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide?
N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 128.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 163422703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).