1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine

C13H16N2O — CID 2768475

IUPAC1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine
SMILESCON=C(c1ccc(C2CC2)nc1)C1CC1
InChIInChI=1S/C13H16N2O/c1-16-15-13(10-4-5-10)11-6-7-12(14-8-11)9-2-3-9/h6-10H,2-5H2,1H3
InChIKeyOSJJJLHGCHBSFQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.72
Rot. Bonds4

About 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine

1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine (PubChem CID 2768475) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine
PubChem CID2768475
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine
SMILESCON=C(c1ccc(C2CC2)nc1)C1CC1
InChIInChI=1S/C13H16N2O/c1-16-15-13(10-4-5-10)11-6-7-12(14-8-11)9-2-3-9/h6-10H,2-5H2,1H3
InChIKeyOSJJJLHGCHBSFQ-UHFFFAOYSA-N
XLogP2.72
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine?
The IUPAC name of 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine (CID 2768475) is 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine.
What is the SMILES notation for 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine?
The canonical SMILES for 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine is CON=C(c1ccc(C2CC2)nc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine?
The InChIKey is OSJJJLHGCHBSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-15-13(10-4-5-10)11-6-7-12(14-8-11)9-2-3-9/h6-10H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine?
1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine has a molecular weight of 216.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine is sourced from PubChem (CID 2768475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).