CID 155707293

C12H19BN2 — CID 155707293

IUPAC—
SMILES[B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1
InChIInChI=1S/C12H19BN2/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3/h4-8H2,1-3H3/b14-11+
InChIKeyOPPYWGHRLDYVQJ-SDNWHVSQSA-N
MW202.11 g/mol
LogP2.53
Rot. Bonds

About CID 155707293

CID 155707293 (PubChem CID 155707293) has the molecular formula C12H19BN2 and a molecular weight of 202.11 g/mol.

Molecular Properties

Compound NameCID 155707293
PubChem CID155707293
Molecular FormulaC12H19BN2
Molecular Weight202.11 g/mol
Exact Mass202.16
IUPAC Name—
SMILES[B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1
InChIInChI=1S/C12H19BN2/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3/h4-8H2,1-3H3/b14-11+
InChIKeyOPPYWGHRLDYVQJ-SDNWHVSQSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 52.53
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 155707293?
The IUPAC name of CID 155707293 (CID 155707293) is not available.
What is the SMILES notation for CID 155707293?
The canonical SMILES for CID 155707293 is [B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1.
What is the InChIKey of CID 155707293?
The InChIKey is OPPYWGHRLDYVQJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H19BN2/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3/h4-8H2,1-3H3/b14-11+.
What are the key properties of CID 155707293?
CID 155707293 has a molecular weight of 202.11 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155707293 is sourced from PubChem (CID 155707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).