N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid

C13H20N2O5 — CID 158948725

IUPACN-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid
SMILESCN1CCC=C(C=NOCC2CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C11H18N2O.C2H2O4/c1-13-6-2-3-11(8-13)7-12-14-9-10-4-5-10;3-1(4)2(5)6/h3,7,10H,2,4-6,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLDOQCWLVIJNIW-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.82
Rot. Bonds4

About N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid

N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid (PubChem CID 158948725) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid
PubChem CID158948725
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid
SMILESCN1CCC=C(C=NOCC2CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C11H18N2O.C2H2O4/c1-13-6-2-3-11(8-13)7-12-14-9-10-4-5-10;3-1(4)2(5)6/h3,7,10H,2,4-6,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyJLDOQCWLVIJNIW-UHFFFAOYSA-N
XLogP0.82
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid?
The IUPAC name of N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid (CID 158948725) is N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid.
What is the SMILES notation for N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid?
The canonical SMILES for N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid is CN1CCC=C(C=NOCC2CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid?
The InChIKey is JLDOQCWLVIJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H2O4/c1-13-6-2-3-11(8-13)7-12-14-9-10-4-5-10;3-1(4)2(5)6/h3,7,10H,2,4-6,8-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid?
N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid has a molecular weight of 284.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine;oxalic acid is sourced from PubChem (CID 158948725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).