CID 134991224

C11H17BN — CID 134991224

IUPAC—
SMILES[B-][N+](CC)(c1ccccc1)C(C)C
InChIInChI=1S/C11H17BN/c1-4-13(12,10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyFZAZXNLAONJTRP-UHFFFAOYSA-N
MW174.08 g/mol
LogP2.51
Rot. Bonds3

About CID 134991224

CID 134991224 (PubChem CID 134991224) has the molecular formula C11H17BN and a molecular weight of 174.08 g/mol.

Molecular Properties

Compound NameCID 134991224
PubChem CID134991224
Molecular FormulaC11H17BN
Molecular Weight174.08 g/mol
Exact Mass174.15
IUPAC Name—
SMILES[B-][N+](CC)(c1ccccc1)C(C)C
InChIInChI=1S/C11H17BN/c1-4-13(12,10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyFZAZXNLAONJTRP-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
CID 159297233
(S)-methyl-phenyl-propan-2-yl-propylazanium
CID 163299662
(S)-methyl-phenyl-propan-2-yl-propylazanium iodide
CID 163299661
diphenyl-di(propan-2-yl)azanium
CID 70556389
N-methyl-N-propan-2-ylbenzeneamine oxide
CID 15036075
triethyl(phenyl)azanium hydroxide
CID 2735149
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
ethyl-dimethyl-phenylazanium hexafluorophosphate
CID 139243460
ethyl-dimethyl-phenylazanium tetrafluoroborate
CID 139243462
ethyl-dihydroxy-phenylazanium
CID 163736186
ethanolate;trimethyl(phenyl)azanium
CID 12512092
triethyl(phenyl)azanium;hydroxide;hydrofluoride
CID 139832069

Frequently Asked Questions

What is the IUPAC name of CID 134991224?
The IUPAC name of CID 134991224 (CID 134991224) is not available.
What is the SMILES notation for CID 134991224?
The canonical SMILES for CID 134991224 is [B-][N+](CC)(c1ccccc1)C(C)C.
What is the InChIKey of CID 134991224?
The InChIKey is FZAZXNLAONJTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN/c1-4-13(12,10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of CID 134991224?
CID 134991224 has a molecular weight of 174.08 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991224 is sourced from PubChem (CID 134991224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).