1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine

C10H16BN3 — CID 168894274

IUPAC1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
SMILES[H]/N=C/n1ccc(B(C)CCC)c/c1=N\[H]
InChIInChI=1S/C10H16BN3/c1-3-5-11(2)9-4-6-14(8-12)10(13)7-9/h4,6-8,12-13H,3,5H2,1-2H3/b12-8+,13-10+
InChIKeyZADPJXAIVCCSGN-SDCOAONHSA-N
MW189.07 g/mol
LogP1.16
Rot. Bonds4

About 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine

1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine (PubChem CID 168894274) has the molecular formula C10H16BN3 and a molecular weight of 189.07 g/mol. Its IUPAC name is 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
PubChem CID168894274
Molecular FormulaC10H16BN3
Molecular Weight189.07 g/mol
Exact Mass189.14
IUPAC Name1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine
SMILES[H]/N=C/n1ccc(B(C)CCC)c/c1=N\[H]
InChIInChI=1S/C10H16BN3/c1-3-5-11(2)9-4-6-14(8-12)10(13)7-9/h4,6-8,12-13H,3,5H2,1-2H3/b12-8+,13-10+
InChIKeyZADPJXAIVCCSGN-SDCOAONHSA-N
XLogP1.16
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine?
The IUPAC name of 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine (CID 168894274) is 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine is [H]/N=C/n1ccc(B(C)CCC)c/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine?
The InChIKey is ZADPJXAIVCCSGN-SDCOAONHSA-N. The full InChI is InChI=1S/C10H16BN3/c1-3-5-11(2)9-4-6-14(8-12)10(13)7-9/h4,6-8,12-13H,3,5H2,1-2H3/b12-8+,13-10+.
What are the key properties of 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine?
1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine has a molecular weight of 189.07 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-[methyl(propyl)boranyl]pyridin-2-imine is sourced from PubChem (CID 168894274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).