6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C10H18BrN — CID 130256402

IUPAC6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESNC1CCC2CC(Br)CCC2C1
InChIInChI=1S/C10H18BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h7-10H,1-6,12H2
InChIKeyHTIRIIXZQXGDME-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.68
Rot. Bonds

About 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 130256402) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID130256402
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESNC1CCC2CC(Br)CCC2C1
InChIInChI=1S/C10H18BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h7-10H,1-6,12H2
InChIKeyHTIRIIXZQXGDME-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bicyclo[3.2.0]heptan-3-amine
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(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 95396709
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281501
(3-bromocyclopentyl)cycloheptane
CID 82925250
(4aS,6R,8aR)-6-bromo-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 7164445
(4aS,6R)-6-bromo-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;hydrobromide
CID 2780448
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
CID 135184580
1-(3-bromocyclopentyl)-3-methylcyclohexane
CID 64506480
(4aR,6R,8aR)-6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 11887489

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 130256402) is 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is NC1CCC2CC(Br)CCC2C1.
What is the InChIKey of 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is HTIRIIXZQXGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h7-10H,1-6,12H2.
What are the key properties of 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 232.16 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 130256402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).