CID 154678326

C15H25B — CID 154678326

IUPAC—
SMILESCC.[B]C(C)(CCC)Cc1ccccc1C
InChIInChI=1S/C13H19B.C2H6/c1-4-9-13(3,14)10-12-8-6-5-7-11(12)2;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3
InChIKeyNPBMEDCMLNTPTM-UHFFFAOYSA-N
MW216.18 g/mol
LogP4.71
Rot. Bonds4

About CID 154678326

CID 154678326 (PubChem CID 154678326) has the molecular formula C15H25B and a molecular weight of 216.18 g/mol.

Molecular Properties

Compound NameCID 154678326
PubChem CID154678326
Molecular FormulaC15H25B
Molecular Weight216.18 g/mol
Exact Mass216.20
IUPAC Name—
SMILESCC.[B]C(C)(CCC)Cc1ccccc1C
InChIInChI=1S/C13H19B.C2H6/c1-4-9-13(3,14)10-12-8-6-5-7-11(12)2;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3
InChIKeyNPBMEDCMLNTPTM-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 154678326 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224
3-[(2-methylphenyl)methyl]heptan-3-amine
CID 65020473
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
1-butyl-2-methylbenzene;ethane;propane
CID 142102479

Frequently Asked Questions

What is the IUPAC name of CID 154678326?
The IUPAC name of CID 154678326 (CID 154678326) is not available.
What is the SMILES notation for CID 154678326?
The canonical SMILES for CID 154678326 is CC.[B]C(C)(CCC)Cc1ccccc1C.
What is the InChIKey of CID 154678326?
The InChIKey is NPBMEDCMLNTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19B.C2H6/c1-4-9-13(3,14)10-12-8-6-5-7-11(12)2;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of CID 154678326?
CID 154678326 has a molecular weight of 216.18 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154678326 is sourced from PubChem (CID 154678326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).