CID 169243446

C6H12BBrN — CID 169243446

IUPAC—
SMILESCC1CCC(C)N1[B]Br
InChIInChI=1S/C6H12BBrN/c1-5-3-4-6(2)9(5)7-8/h5-6H,3-4H2,1-2H3
InChIKeyMTVZEAZEMMAMBX-UHFFFAOYSA-N
MW188.88 g/mol
LogP1.79
Rot. Bonds1

About CID 169243446

CID 169243446 (PubChem CID 169243446) has the molecular formula C6H12BBrN and a molecular weight of 188.88 g/mol.

Molecular Properties

Compound NameCID 169243446
PubChem CID169243446
Molecular FormulaC6H12BBrN
Molecular Weight188.88 g/mol
Exact Mass188.02
IUPAC Name—
SMILESCC1CCC(C)N1[B]Br
InChIInChI=1S/C6H12BBrN/c1-5-3-4-6(2)9(5)7-8/h5-6H,3-4H2,1-2H3
InChIKeyMTVZEAZEMMAMBX-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.88
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2,5-dimethylpyrrolidine
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(2,5-dimethylpyrrolidin-1-yl)phosphane
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(2S)-1-bromo-2-methylaziridine
CID 134926712
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
(2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
CID 92953666
(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
CID 92953665
N-[(2R)-2,5-dimethylpyrrolidin-1-yl]methanimine
CID 163638318
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
1-hydroperoxy-2,3,6-trimethylpiperidine
CID 141126666
2-bromo-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone
CID 45080682

Frequently Asked Questions

What is the IUPAC name of CID 169243446?
The IUPAC name of CID 169243446 (CID 169243446) is not available.
What is the SMILES notation for CID 169243446?
The canonical SMILES for CID 169243446 is CC1CCC(C)N1[B]Br.
What is the InChIKey of CID 169243446?
The InChIKey is MTVZEAZEMMAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BBrN/c1-5-3-4-6(2)9(5)7-8/h5-6H,3-4H2,1-2H3.
What are the key properties of CID 169243446?
CID 169243446 has a molecular weight of 188.88 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169243446 is sourced from PubChem (CID 169243446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).