N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine

C12H24BN — CID 601122

IUPACN-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)(C)NB1C2CCCC1CCC2
InChIInChI=1S/C12H24BN/c1-12(2,3)14-13-10-6-4-7-11(13)9-5-8-10/h10-11,14H,4-9H2,1-3H3
InChIKeyLDUZTXWFJFQVEA-UHFFFAOYSA-N
MW193.14 g/mol
LogP3.47
Rot. Bonds1

About N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine

N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine (PubChem CID 601122) has the molecular formula C12H24BN and a molecular weight of 193.14 g/mol. Its IUPAC name is N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine
PubChem CID601122
Molecular FormulaC12H24BN
Molecular Weight193.14 g/mol
Exact Mass193.20
IUPAC NameN-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)(C)NB1C2CCCC1CCC2
InChIInChI=1S/C12H24BN/c1-12(2,3)14-13-10-6-4-7-11(13)9-5-8-10/h10-11,14H,4-9H2,1-3H3
InChIKeyLDUZTXWFJFQVEA-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(9-borabicyclo[3.3.1]nonan-9-yl)-N'-methylethane-1,2-diamine
CID 544881
9-(2,2-dimethylpropoxy)-9-borabicyclo[3.3.1]nonane
CID 14970101
9-methylselanyl-9-borabicyclo[3.3.1]nonane
CID 578631
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
1-tert-butyl-2-cycloheptylhydrazine
CID 126515536
CID 177425016
CID 177425016
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
1,4-ditert-butylcycloheptane
CID 58579546
9-(9-borabicyclo[3.3.1]nonan-9-ylsulfanyl)-9-borabicyclo[3.3.1]nonane
CID 577601
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol
CID 139573688
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine (CID 601122) is N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine is CC(C)(C)NB1C2CCCC1CCC2.
What is the InChIKey of N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine?
The InChIKey is LDUZTXWFJFQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BN/c1-12(2,3)14-13-10-6-4-7-11(13)9-5-8-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine?
N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine has a molecular weight of 193.14 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-borabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 601122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).