6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H20BrN — CID 106226118

IUPAC6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CC(CCC)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H20BrN/c1-3-5-15(4-2)18-16-9-7-12-10-14(17)8-6-13(12)11-16/h2,6,8,10,15-16,18H,3,5,7,9,11H2,1H3
InChIKeyOGKZOQNRQPBDER-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.70
Rot. Bonds4

About 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 106226118) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID106226118
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CC(CCC)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H20BrN/c1-3-5-15(4-2)18-16-9-7-12-10-14(17)8-6-13(12)11-16/h2,6,8,10,15-16,18H,3,5,7,9,11H2,1H3
InChIKeyOGKZOQNRQPBDER-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625695
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 104925952
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249417
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
CID 103784050
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 106226118) is 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine is C#CC(CCC)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OGKZOQNRQPBDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-3-5-15(4-2)18-16-9-7-12-10-14(17)8-6-13(12)11-16/h2,6,8,10,15-16,18H,3,5,7,9,11H2,1H3.
What are the key properties of 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 306.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 106226118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).