N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide

C9H15BrN2O — CID 90654289

IUPACN-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide
SMILESBr.Cn1cccc/c1=N\C1CC1.O
InChIInChI=1S/C9H12N2.BrH.H2O/c1-11-7-3-2-4-9(11)10-8-5-6-8;;/h2-4,7-8H,5-6H2,1H3;1H;1H2/b10-9+;;
InChIKeyNEYLKHOPVMLKNK-TTWKNDKESA-N
MW247.14 g/mol
LogP0.84
Rot. Bonds1

About N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide

N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide (PubChem CID 90654289) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide
PubChem CID90654289
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC NameN-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide
SMILESBr.Cn1cccc/c1=N\C1CC1.O
InChIInChI=1S/C9H12N2.BrH.H2O/c1-11-7-3-2-4-9(11)10-8-5-6-8;;/h2-4,7-8H,5-6H2,1H3;1H;1H2/b10-9+;;
InChIKeyNEYLKHOPVMLKNK-TTWKNDKESA-N
XLogP0.84
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144545726
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CID 380448
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide?
The IUPAC name of N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide (CID 90654289) is N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide.
What is the SMILES notation for N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide?
The canonical SMILES for N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide is Br.Cn1cccc/c1=N\C1CC1.O.
What is the InChIKey of N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide?
The InChIKey is NEYLKHOPVMLKNK-TTWKNDKESA-N. The full InChI is InChI=1S/C9H12N2.BrH.H2O/c1-11-7-3-2-4-9(11)10-8-5-6-8;;/h2-4,7-8H,5-6H2,1H3;1H;1H2/b10-9+;;.
What are the key properties of N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide?
N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide has a molecular weight of 247.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylpyridin-2-imine;hydrate;hydrobromide is sourced from PubChem (CID 90654289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).