CID 90146794

C19H21BN — CID 90146794

IUPAC—
SMILES[B]1CCC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12
InChIInChI=1S/C19H21BN/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-14-20-21-15-7-12-18(19)21/h1-6,8-11,18H,7,12-15H2/t18-/m1/s1
InChIKeyDVYWOUUOEBIPQI-GOSISDBHSA-N
MW274.20 g/mol
LogP3.88
Rot. Bonds2

About CID 90146794

CID 90146794 (PubChem CID 90146794) has the molecular formula C19H21BN and a molecular weight of 274.20 g/mol.

Molecular Properties

Compound NameCID 90146794
PubChem CID90146794
Molecular FormulaC19H21BN
Molecular Weight274.20 g/mol
Exact Mass274.18
IUPAC Name—
SMILES[B]1CCC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12
InChIInChI=1S/C19H21BN/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-14-20-21-15-7-12-18(19)21/h1-6,8-11,18H,7,12-15H2/t18-/m1/s1
InChIKeyDVYWOUUOEBIPQI-GOSISDBHSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90146794?
The IUPAC name of CID 90146794 (CID 90146794) is not available.
What is the SMILES notation for CID 90146794?
The canonical SMILES for CID 90146794 is [B]1CCC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.
What is the InChIKey of CID 90146794?
The InChIKey is DVYWOUUOEBIPQI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21BN/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)13-14-20-21-15-7-12-18(19)21/h1-6,8-11,18H,7,12-15H2/t18-/m1/s1.
What are the key properties of CID 90146794?
CID 90146794 has a molecular weight of 274.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90146794 is sourced from PubChem (CID 90146794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).