CID 147803814

C9H16BN — CID 147803814

IUPAC—
SMILES[B]N1CCC[C@@H]2CCCC[C@H]21
InChIInChI=1S/C9H16BN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyUWQJGNRFSXSIDQ-DTWKUNHWSA-N
MW149.05 g/mol
LogP1.72
Rot. Bonds

About CID 147803814

CID 147803814 (PubChem CID 147803814) has the molecular formula C9H16BN and a molecular weight of 149.05 g/mol.

Molecular Properties

Compound NameCID 147803814
PubChem CID147803814
Molecular FormulaC9H16BN
Molecular Weight149.05 g/mol
Exact Mass149.14
IUPAC Name—
SMILES[B]N1CCC[C@@H]2CCCC[C@H]21
InChIInChI=1S/C9H16BN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1
InChIKeyUWQJGNRFSXSIDQ-DTWKUNHWSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.05
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 147803814 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

(4aR,8aR)-1-prop-2-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727779
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
CID 64992279
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(dichloro)silane
CID 173270803
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
1-(4-chlorobut-2-enyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 77051233
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)but-2-en-1-amine
CID 77110447

Frequently Asked Questions

What is the IUPAC name of CID 147803814?
The IUPAC name of CID 147803814 (CID 147803814) is not available.
What is the SMILES notation for CID 147803814?
The canonical SMILES for CID 147803814 is [B]N1CCC[C@@H]2CCCC[C@H]21.
What is the InChIKey of CID 147803814?
The InChIKey is UWQJGNRFSXSIDQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16BN/c10-11-7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7H2/t8-,9+/m0/s1.
What are the key properties of CID 147803814?
CID 147803814 has a molecular weight of 149.05 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147803814 is sourced from PubChem (CID 147803814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).