CID 178177016

C9H14B3N — CID 178177016

IUPAC—
SMILES[B]C([B])([B])N1CCC2(CC(C)C2)C1
InChIInChI=1S/C9H14B3N/c1-7-4-8(5-7)2-3-13(6-8)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDWOVKODOHORWKH-UHFFFAOYSA-N
MW168.65 g/mol
LogP0.23
Rot. Bonds1

About CID 178177016

CID 178177016 (PubChem CID 178177016) has the molecular formula C9H14B3N and a molecular weight of 168.65 g/mol.

Molecular Properties

Compound NameCID 178177016
PubChem CID178177016
Molecular FormulaC9H14B3N
Molecular Weight168.65 g/mol
Exact Mass169.14
IUPAC Name—
SMILES[B]C([B])([B])N1CCC2(CC(C)C2)C1
InChIInChI=1S/C9H14B3N/c1-7-4-8(5-7)2-3-13(6-8)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDWOVKODOHORWKH-UHFFFAOYSA-N
XLogP0.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.65
LogP ≤ 50.23
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

2,6-dimethylspiro[3.3]heptane
CID 21304360
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
7-cyclopropyl-2-methyl-7-azaspiro[3.5]nonane
CID 164867891
6-methyldispiro[2.0.34.23]nonane
CID 123177903
ethane;2-methylspiro[3.5]nonane
CID 164868147
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636
CID 178155610
CID 178155610
N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine
CID 178176617
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
(8S)-6,8-dimethyl-6-azaspiro[2.6]nonane
CID 166891491
2,7-dimethylspiro[3.4]octane
CID 142902956
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410

Frequently Asked Questions

What is the IUPAC name of CID 178177016?
The IUPAC name of CID 178177016 (CID 178177016) is not available.
What is the SMILES notation for CID 178177016?
The canonical SMILES for CID 178177016 is [B]C([B])([B])N1CCC2(CC(C)C2)C1.
What is the InChIKey of CID 178177016?
The InChIKey is DWOVKODOHORWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14B3N/c1-7-4-8(5-7)2-3-13(6-8)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of CID 178177016?
CID 178177016 has a molecular weight of 168.65 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178177016 is sourced from PubChem (CID 178177016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).