CID 163252922

C15H29BN2 — CID 163252922

IUPAC—
SMILESCC.CC.[B]C1(C)CCCC2=C1C/C(=N\C)N2C
InChIInChI=1S/C11H17BN2.2C2H6/c1-11(12)6-4-5-9-8(11)7-10(13-2)14(9)3;2*1-2/h4-7H2,1-3H3;2*1-2H3/b13-10+;;
InChIKeyYZJNVGZLBATKRU-JFXLULTRSA-N
MW248.22 g/mol
LogP4.19
Rot. Bonds

About CID 163252922

CID 163252922 (PubChem CID 163252922) has the molecular formula C15H29BN2 and a molecular weight of 248.22 g/mol.

Molecular Properties

Compound NameCID 163252922
PubChem CID163252922
Molecular FormulaC15H29BN2
Molecular Weight248.22 g/mol
Exact Mass248.24
IUPAC Name—
SMILESCC.CC.[B]C1(C)CCCC2=C1C/C(=N\C)N2C
InChIInChI=1S/C11H17BN2.2C2H6/c1-11(12)6-4-5-9-8(11)7-10(13-2)14(9)3;2*1-2/h4-7H2,1-3H3;2*1-2H3/b13-10+;;
InChIKeyYZJNVGZLBATKRU-JFXLULTRSA-N
XLogP4.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 54.19
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 CID 163252922?
The IUPAC name of CID 163252922 (CID 163252922) is not available.
What is the SMILES notation for CID 163252922?
The canonical SMILES for CID 163252922 is CC.CC.[B]C1(C)CCCC2=C1C/C(=N\C)N2C.
What is the InChIKey of CID 163252922?
The InChIKey is YZJNVGZLBATKRU-JFXLULTRSA-N. The full InChI is InChI=1S/C11H17BN2.2C2H6/c1-11(12)6-4-5-9-8(11)7-10(13-2)14(9)3;2*1-2/h4-7H2,1-3H3;2*1-2H3/b13-10+;;.
What are the key properties of CID 163252922?
CID 163252922 has a molecular weight of 248.22 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163252922 is sourced from PubChem (CID 163252922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).