6-bromohex-4-yn-1-amine

C6H10BrN — CID 176944290

IUPAC6-bromohex-4-yn-1-amine
SMILESNCCCC#CCBr
InChIInChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h2,4-6,8H2
InChIKeySLRVTOUFXAQKEK-UHFFFAOYSA-N
MW176.06 g/mol
LogP1.12
Rot. Bonds2

About 6-bromohex-4-yn-1-amine

6-bromohex-4-yn-1-amine (PubChem CID 176944290) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is 6-bromohex-4-yn-1-amine.

Molecular Properties

Compound Name6-bromohex-4-yn-1-amine
PubChem CID176944290
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name6-bromohex-4-yn-1-amine
SMILESNCCCC#CCBr
InChIInChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h2,4-6,8H2
InChIKeySLRVTOUFXAQKEK-UHFFFAOYSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,16-dibromohexadeca-2,14-diyne
CID 15012299
1-bromodocos-2-yne
CID 172558886
dodec-4-yn-1-amine
CID 15707491
1-bromo-7-methyloct-2-yne
CID 71401055
(7S)-oct-4-yne-1,7-diamine
CID 55285298
1,14-dibromotetradeca-2,4,10,12-tetrayne
CID 11186839
hex-3-yne-1,6-diamine
CID 55281745
octadec-5-yn-1-amine
CID 87547791
non-6-yn-1-amine
CID 87675821
tridec-6-yn-1-amine
CID 15707496
6-methylhept-4-yn-1-amine
CID 21391829
10-bromodec-8-yn-4-one
CID 20765013

Frequently Asked Questions

What is the IUPAC name of 6-bromohex-4-yn-1-amine?
The IUPAC name of 6-bromohex-4-yn-1-amine (CID 176944290) is 6-bromohex-4-yn-1-amine.
What is the SMILES notation for 6-bromohex-4-yn-1-amine?
The canonical SMILES for 6-bromohex-4-yn-1-amine is NCCCC#CCBr.
What is the InChIKey of 6-bromohex-4-yn-1-amine?
The InChIKey is SLRVTOUFXAQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h2,4-6,8H2.
What are the key properties of 6-bromohex-4-yn-1-amine?
6-bromohex-4-yn-1-amine has a molecular weight of 176.06 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohex-4-yn-1-amine is sourced from PubChem (CID 176944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).