CID 161173577

C16H28B2N4 — CID 161173577

IUPAC—
SMILESC=NN=C1CCC[C@@H](C)C1.C=NN=C1CCC[C@H](C)C1.[B].[B]
InChIInChI=1S/2C8H14N2.2B/c2*1-7-4-3-5-8(6-7)10-9-2;;/h2*7H,2-6H2,1H3;;/t2*7-;;/m10../s1
InChIKeyCFTZEJKRKWAQGT-AZOMMZINSA-N
MW298.05 g/mol
LogP3.74
Rot. Bonds2

About CID 161173577

CID 161173577 (PubChem CID 161173577) has the molecular formula C16H28B2N4 and a molecular weight of 298.05 g/mol.

Molecular Properties

Compound NameCID 161173577
PubChem CID161173577
Molecular FormulaC16H28B2N4
Molecular Weight298.05 g/mol
Exact Mass298.25
IUPAC Name—
SMILESC=NN=C1CCC[C@@H](C)C1.C=NN=C1CCC[C@H](C)C1.[B].[B]
InChIInChI=1S/2C8H14N2.2B/c2*1-7-4-3-5-8(6-7)10-9-2;;/h2*7H,2-6H2,1H3;;/t2*7-;;/m10../s1
InChIKeyCFTZEJKRKWAQGT-AZOMMZINSA-N
XLogP3.74
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.05
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161173577?
The IUPAC name of CID 161173577 (CID 161173577) is not available.
What is the SMILES notation for CID 161173577?
The canonical SMILES for CID 161173577 is C=NN=C1CCC[C@@H](C)C1.C=NN=C1CCC[C@H](C)C1.[B].[B].
What is the InChIKey of CID 161173577?
The InChIKey is CFTZEJKRKWAQGT-AZOMMZINSA-N. The full InChI is InChI=1S/2C8H14N2.2B/c2*1-7-4-3-5-8(6-7)10-9-2;;/h2*7H,2-6H2,1H3;;/t2*7-;;/m10../s1.
What are the key properties of CID 161173577?
CID 161173577 has a molecular weight of 298.05 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161173577 is sourced from PubChem (CID 161173577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).