CID 156792368

C11H20BN3 — CID 156792368

IUPAC—
SMILES[B]/C(CC)=N/N(CC)C1CC2(CNC2)C1
InChIInChI=1S/C11H20BN3/c1-3-10(12)14-15(4-2)9-5-11(6-9)7-13-8-11/h9,13H,3-8H2,1-2H3/b14-10+
InChIKeyAZOKVKWOICPMCU-GXDHUFHOSA-N
MW205.11 g/mol
LogP0.95
Rot. Bonds4

About CID 156792368

CID 156792368 (PubChem CID 156792368) has the molecular formula C11H20BN3 and a molecular weight of 205.11 g/mol.

Molecular Properties

Compound NameCID 156792368
PubChem CID156792368
Molecular FormulaC11H20BN3
Molecular Weight205.11 g/mol
Exact Mass205.18
IUPAC Name—
SMILES[B]/C(CC)=N/N(CC)C1CC2(CNC2)C1
InChIInChI=1S/C11H20BN3/c1-3-10(12)14-15(4-2)9-5-11(6-9)7-13-8-11/h9,13H,3-8H2,1-2H3/b14-10+
InChIKeyAZOKVKWOICPMCU-GXDHUFHOSA-N
XLogP0.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-azaspiro[3.4]octan-6-amine
CID 171092576
2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
CID 176884984
ethane;6-ethoxy-2-azaspiro[3.3]heptane
CID 170737877
tert-butyl 6-[ethyl-(methylideneamino)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792254
6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947605
6-chloro-2-azaspiro[3.3]heptane;hydrochloride
CID 146050239
butyl (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate
CID 175936320
S-[2-azaspiro[3.3]heptan-6-yl-[(4,4-difluorocyclohexyl)methyl]amino]thiohydroxylamine;ethane
CID 163274969
(Z)-1-(2-azaspiro[3.3]heptan-6-yl)-N-[(Z)-ethylideneamino]ethanimine
CID 169105526
2,7-diazaspiro[3.4]octane;propane
CID 177136819
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
8-azadispiro[3.1.36.14]decan-2-ol
CID 155970948

Frequently Asked Questions

What is the IUPAC name of CID 156792368?
The IUPAC name of CID 156792368 (CID 156792368) is not available.
What is the SMILES notation for CID 156792368?
The canonical SMILES for CID 156792368 is [B]/C(CC)=N/N(CC)C1CC2(CNC2)C1.
What is the InChIKey of CID 156792368?
The InChIKey is AZOKVKWOICPMCU-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H20BN3/c1-3-10(12)14-15(4-2)9-5-11(6-9)7-13-8-11/h9,13H,3-8H2,1-2H3/b14-10+.
What are the key properties of CID 156792368?
CID 156792368 has a molecular weight of 205.11 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156792368 is sourced from PubChem (CID 156792368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).