1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine

C9H16BN — CID 90936180

IUPAC1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine
SMILESCC=C/N=C(\C)B(C)C=CC
InChIInChI=1S/C9H16BN/c1-5-7-10(4)9(3)11-8-6-2/h5-8H,1-4H3/b7-5?,8-6?,11-9+
InChIKeyYOSMHBLPYAROOU-HNRLPFHLSA-N
MW149.05 g/mol
LogP2.76
Rot. Bonds3

About 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine

1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine (PubChem CID 90936180) has the molecular formula C9H16BN and a molecular weight of 149.05 g/mol. Its IUPAC name is 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine.

Molecular Properties

Compound Name1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine
PubChem CID90936180
Molecular FormulaC9H16BN
Molecular Weight149.05 g/mol
Exact Mass149.14
IUPAC Name1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine
SMILESCC=C/N=C(\C)B(C)C=CC
InChIInChI=1S/C9H16BN/c1-5-7-10(4)9(3)11-8-6-2/h5-8H,1-4H3/b7-5?,8-6?,11-9+
InChIKeyYOSMHBLPYAROOU-HNRLPFHLSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.05
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine?
The IUPAC name of 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine (CID 90936180) is 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine.
What is the SMILES notation for 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine?
The canonical SMILES for 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine is CC=C/N=C(\C)B(C)C=CC.
What is the InChIKey of 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine?
The InChIKey is YOSMHBLPYAROOU-HNRLPFHLSA-N. The full InChI is InChI=1S/C9H16BN/c1-5-7-10(4)9(3)11-8-6-2/h5-8H,1-4H3/b7-5?,8-6?,11-9+.
What are the key properties of 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine?
1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine has a molecular weight of 149.05 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-1-enyl)boranyl]-N-prop-1-enylethanimine is sourced from PubChem (CID 90936180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).