1,2,2-tribromocyclohexan-1-amine

C6H10Br3N — CID 54015976

IUPAC1,2,2-tribromocyclohexan-1-amine
SMILESNC1(Br)CCCCC1(Br)Br
InChIInChI=1S/C6H10Br3N/c7-5(8)3-1-2-4-6(5,9)10/h1-4,10H2
InChIKeyKVQTVDUDWFZXTM-UHFFFAOYSA-N
MW335.87 g/mol
LogP3.10
Rot. Bonds

About 1,2,2-tribromocyclohexan-1-amine

1,2,2-tribromocyclohexan-1-amine (PubChem CID 54015976) has the molecular formula C6H10Br3N and a molecular weight of 335.87 g/mol. Its IUPAC name is 1,2,2-tribromocyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2-tribromocyclohexan-1-amine
PubChem CID54015976
Molecular FormulaC6H10Br3N
Molecular Weight335.87 g/mol
Exact Mass332.84
IUPAC Name1,2,2-tribromocyclohexan-1-amine
SMILESNC1(Br)CCCCC1(Br)Br
InChIInChI=1S/C6H10Br3N/c7-5(8)3-1-2-4-6(5,9)10/h1-4,10H2
InChIKeyKVQTVDUDWFZXTM-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

gold;1,1,2,2,3,3-hexabromocyclododecane
CID 174628805
2,2-dibromospiro[2.5]octane
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8-bromo-1,8-dimethylcyclotetradecan-1-amine
CID 70892255
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1-bromo-1-(1-bromocyclopentyl)cycloheptane
CID 10087590
1-(bromomethyl)cyclopentan-1-amine
CID 518855
(1-aminocyclopentyl)methanone
CID 142017340
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835
1-bromo-1-ethynylcyclohexane
CID 12617762
2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine
CID 22286745
CID 145159895
CID 145159895

Frequently Asked Questions

What is the IUPAC name of 1,2,2-tribromocyclohexan-1-amine?
The IUPAC name of 1,2,2-tribromocyclohexan-1-amine (CID 54015976) is 1,2,2-tribromocyclohexan-1-amine.
What is the SMILES notation for 1,2,2-tribromocyclohexan-1-amine?
The canonical SMILES for 1,2,2-tribromocyclohexan-1-amine is NC1(Br)CCCCC1(Br)Br.
What is the InChIKey of 1,2,2-tribromocyclohexan-1-amine?
The InChIKey is KVQTVDUDWFZXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br3N/c7-5(8)3-1-2-4-6(5,9)10/h1-4,10H2.
What are the key properties of 1,2,2-tribromocyclohexan-1-amine?
1,2,2-tribromocyclohexan-1-amine has a molecular weight of 335.87 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tribromocyclohexan-1-amine is sourced from PubChem (CID 54015976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).