CID 136753167

C11H21BN2 — CID 136753167

IUPAC—
SMILES[B]C1N(C(C)C)C(C)=C(C)N1C(C)C
InChIInChI=1S/C11H21BN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8,11H,1-6H3
InChIKeyJWMOKPVGGFJISN-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.12
Rot. Bonds2

About CID 136753167

CID 136753167 (PubChem CID 136753167) has the molecular formula C11H21BN2 and a molecular weight of 192.11 g/mol.

Molecular Properties

Compound NameCID 136753167
PubChem CID136753167
Molecular FormulaC11H21BN2
Molecular Weight192.11 g/mol
Exact Mass192.18
IUPAC Name—
SMILES[B]C1N(C(C)C)C(C)=C(C)N1C(C)C
InChIInChI=1S/C11H21BN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8,11H,1-6H3
InChIKeyJWMOKPVGGFJISN-UHFFFAOYSA-N
XLogP2.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.12
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 136753167?
The IUPAC name of CID 136753167 (CID 136753167) is not available.
What is the SMILES notation for CID 136753167?
The canonical SMILES for CID 136753167 is [B]C1N(C(C)C)C(C)=C(C)N1C(C)C.
What is the InChIKey of CID 136753167?
The InChIKey is JWMOKPVGGFJISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8,11H,1-6H3.
What are the key properties of CID 136753167?
CID 136753167 has a molecular weight of 192.11 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136753167 is sourced from PubChem (CID 136753167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).