CID 155739723

C11H19BN2 — CID 155739723

IUPAC—
SMILES[B]C1(C)CCCC2C(C1)N=C(C)N2C
InChIInChI=1S/C11H19BN2/c1-8-13-9-7-11(2,12)6-4-5-10(9)14(8)3/h9-10H,4-7H2,1-3H3
InChIKeyNJRUAFUVRHQNDF-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.01
Rot. Bonds

About CID 155739723

CID 155739723 (PubChem CID 155739723) has the molecular formula C11H19BN2 and a molecular weight of 190.10 g/mol.

Molecular Properties

Compound NameCID 155739723
PubChem CID155739723
Molecular FormulaC11H19BN2
Molecular Weight190.10 g/mol
Exact Mass190.16
IUPAC Name—
SMILES[B]C1(C)CCCC2C(C1)N=C(C)N2C
InChIInChI=1S/C11H19BN2/c1-8-13-9-7-11(2,12)6-4-5-10(9)14(8)3/h9-10H,4-7H2,1-3H3
InChIKeyNJRUAFUVRHQNDF-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 155739723?
The IUPAC name of CID 155739723 (CID 155739723) is not available.
What is the SMILES notation for CID 155739723?
The canonical SMILES for CID 155739723 is [B]C1(C)CCCC2C(C1)N=C(C)N2C.
What is the InChIKey of CID 155739723?
The InChIKey is NJRUAFUVRHQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2/c1-8-13-9-7-11(2,12)6-4-5-10(9)14(8)3/h9-10H,4-7H2,1-3H3.
What are the key properties of CID 155739723?
CID 155739723 has a molecular weight of 190.10 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155739723 is sourced from PubChem (CID 155739723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).