ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C15H23N3O — CID 145449170

IUPACethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC.CNC1CC1.Cc1ccc2ncc(C=O)n2c1
InChIInChI=1S/C9H8N2O.C4H9N.C2H6/c1-7-2-3-9-10-4-8(6-12)11(9)5-7;1-5-4-2-3-4;1-2/h2-6H,1H3;4-5H,2-3H2,1H3;1-2H3
InChIKeyAVOSFRBTXXLVGL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds2

About ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 145449170) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID145449170
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Nameethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC.CNC1CC1.Cc1ccc2ncc(C=O)n2c1
InChIInChI=1S/C9H8N2O.C4H9N.C2H6/c1-7-2-3-9-10-4-8(6-12)11(9)5-7;1-5-4-2-3-4;1-2/h2-6H,1H3;4-5H,2-3H2,1H3;1-2H3
InChIKeyAVOSFRBTXXLVGL-UHFFFAOYSA-N
XLogP2.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 145449170) is ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde is CC.CNC1CC1.Cc1ccc2ncc(C=O)n2c1.
What is the InChIKey of ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is AVOSFRBTXXLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C4H9N.C2H6/c1-7-2-3-9-10-4-8(6-12)11(9)5-7;1-5-4-2-3-4;1-2/h2-6H,1H3;4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 261.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylcyclopropanamine;6-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 145449170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).