boranylformonitrile; N,N-dimethylhex-5-en-1-amine

C9H17BN2 — CID 16661506

IUPAC—
SMILESC=CCCCCN(C)C.[B]C#N
InChIInChI=1S/C8H17N.CBN/c1-4-5-6-7-8-9(2)3;2-1-3/h4H,1,5-8H2,2-3H3;
InChIKeyPJGJPKYDPDWKQB-UHFFFAOYSA-N
MW164.06 g/mol
LogP1.54
Rot. Bonds5

About boranylformonitrile; N,N-dimethylhex-5-en-1-amine

boranylformonitrile; N,N-dimethylhex-5-en-1-amine (PubChem CID 16661506) has the molecular formula C9H17BN2 and a molecular weight of 164.06 g/mol.

Molecular Properties

Compound Nameboranylformonitrile; N,N-dimethylhex-5-en-1-amine
PubChem CID16661506
Molecular FormulaC9H17BN2
Molecular Weight164.06 g/mol
Exact Mass164.15
IUPAC Name—
SMILESC=CCCCCN(C)C.[B]C#N
InChIInChI=1S/C8H17N.CBN/c1-4-5-6-7-8-9(2)3;2-1-3/h4H,1,5-8H2,2-3H3;
InChIKeyPJGJPKYDPDWKQB-UHFFFAOYSA-N
XLogP1.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boranylformonitrile; N,N-dimethylhex-5-en-1-amine?
The IUPAC name of boranylformonitrile; N,N-dimethylhex-5-en-1-amine (CID 16661506) is not available.
What is the SMILES notation for boranylformonitrile; N,N-dimethylhex-5-en-1-amine?
The canonical SMILES for boranylformonitrile; N,N-dimethylhex-5-en-1-amine is C=CCCCCN(C)C.[B]C#N.
What is the InChIKey of boranylformonitrile; N,N-dimethylhex-5-en-1-amine?
The InChIKey is PJGJPKYDPDWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CBN/c1-4-5-6-7-8-9(2)3;2-1-3/h4H,1,5-8H2,2-3H3;.
What are the key properties of boranylformonitrile; N,N-dimethylhex-5-en-1-amine?
boranylformonitrile; N,N-dimethylhex-5-en-1-amine has a molecular weight of 164.06 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for boranylformonitrile; N,N-dimethylhex-5-en-1-amine is sourced from PubChem (CID 16661506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).