2-bromobicyclo[2.2.1]heptane;methanamine

C10H26BrN3 — CID 174462480

IUPAC2-bromobicyclo[2.2.1]heptane;methanamine
SMILESBrC1CC2CCC1C2.CN.CN.CN
InChIInChI=1S/C7H11Br.3CH5N/c8-7-4-5-1-2-6(7)3-5;3*1-2/h5-7H,1-4H2;3*2H2,1H3
InChIKeyIXDMYTDERCFYPB-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.29
Rot. Bonds

About 2-bromobicyclo[2.2.1]heptane;methanamine

2-bromobicyclo[2.2.1]heptane;methanamine (PubChem CID 174462480) has the molecular formula C10H26BrN3 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-bromobicyclo[2.2.1]heptane;methanamine.

Molecular Properties

Compound Name2-bromobicyclo[2.2.1]heptane;methanamine
PubChem CID174462480
Molecular FormulaC10H26BrN3
Molecular Weight268.24 g/mol
Exact Mass267.13
IUPAC Name2-bromobicyclo[2.2.1]heptane;methanamine
SMILESBrC1CC2CCC1C2.CN.CN.CN
InChIInChI=1S/C7H11Br.3CH5N/c8-7-4-5-1-2-6(7)3-5;3*1-2/h5-7H,1-4H2;3*2H2,1H3
InChIKeyIXDMYTDERCFYPB-UHFFFAOYSA-N
XLogP1.29
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
tricyclo[5.3.2.04,9]dodecane
CID 54490019
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol
CID 131031086
(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 6994024

Frequently Asked Questions

What is the IUPAC name of 2-bromobicyclo[2.2.1]heptane;methanamine?
The IUPAC name of 2-bromobicyclo[2.2.1]heptane;methanamine (CID 174462480) is 2-bromobicyclo[2.2.1]heptane;methanamine.
What is the SMILES notation for 2-bromobicyclo[2.2.1]heptane;methanamine?
The canonical SMILES for 2-bromobicyclo[2.2.1]heptane;methanamine is BrC1CC2CCC1C2.CN.CN.CN.
What is the InChIKey of 2-bromobicyclo[2.2.1]heptane;methanamine?
The InChIKey is IXDMYTDERCFYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br.3CH5N/c8-7-4-5-1-2-6(7)3-5;3*1-2/h5-7H,1-4H2;3*2H2,1H3.
What are the key properties of 2-bromobicyclo[2.2.1]heptane;methanamine?
2-bromobicyclo[2.2.1]heptane;methanamine has a molecular weight of 268.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobicyclo[2.2.1]heptane;methanamine is sourced from PubChem (CID 174462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).