CID 166489257

C7H13BN2 — CID 166489257

IUPAC—
SMILES[B]N1CC2CN(C)CC2C1
InChIInChI=1S/C7H13BN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3
InChIKeyUDNQZYPZHDGQBG-UHFFFAOYSA-N
MW136.01 g/mol
LogP-0.44
Rot. Bonds

About CID 166489257

CID 166489257 (PubChem CID 166489257) has the molecular formula C7H13BN2 and a molecular weight of 136.01 g/mol.

Molecular Properties

Compound NameCID 166489257
PubChem CID166489257
Molecular FormulaC7H13BN2
Molecular Weight136.01 g/mol
Exact Mass136.12
IUPAC Name—
SMILES[B]N1CC2CN(C)CC2C1
InChIInChI=1S/C7H13BN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3
InChIKeyUDNQZYPZHDGQBG-UHFFFAOYSA-N
XLogP-0.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.01
LogP ≤ 5-0.44
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 166489257?
The IUPAC name of CID 166489257 (CID 166489257) is not available.
What is the SMILES notation for CID 166489257?
The canonical SMILES for CID 166489257 is [B]N1CC2CN(C)CC2C1.
What is the InChIKey of CID 166489257?
The InChIKey is UDNQZYPZHDGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3.
What are the key properties of CID 166489257?
CID 166489257 has a molecular weight of 136.01 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166489257 is sourced from PubChem (CID 166489257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).