CID 156724864

C10H16BN — CID 156724864

IUPAC—
SMILESCC.[B]C(N)c1cccc(C)c1
InChIInChI=1S/C8H10BN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-2/h2-5,8H,10H2,1H3;1-2H3
InChIKeyHQNQHVVNHHXTQO-UHFFFAOYSA-N
MW161.06 g/mol
LogP2.15
Rot. Bonds1

About CID 156724864

CID 156724864 (PubChem CID 156724864) has the molecular formula C10H16BN and a molecular weight of 161.06 g/mol.

Molecular Properties

Compound NameCID 156724864
PubChem CID156724864
Molecular FormulaC10H16BN
Molecular Weight161.06 g/mol
Exact Mass161.14
IUPAC Name—
SMILESCC.[B]C(N)c1cccc(C)c1
InChIInChI=1S/C8H10BN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-2/h2-5,8H,10H2,1H3;1-2H3
InChIKeyHQNQHVVNHHXTQO-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
CID 142381961
CID 142381961
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
methoxy-(3-methylphenyl)methanamine
CID 116947345
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
CID 155931226
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226

Frequently Asked Questions

What is the IUPAC name of CID 156724864?
The IUPAC name of CID 156724864 (CID 156724864) is not available.
What is the SMILES notation for CID 156724864?
The canonical SMILES for CID 156724864 is CC.[B]C(N)c1cccc(C)c1.
What is the InChIKey of CID 156724864?
The InChIKey is HQNQHVVNHHXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-2/h2-5,8H,10H2,1H3;1-2H3.
What are the key properties of CID 156724864?
CID 156724864 has a molecular weight of 161.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156724864 is sourced from PubChem (CID 156724864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).