6-bromohexan-1-amine

C6H14BrN — CID 3650626

IUPAC6-bromohexan-1-amine
SMILESNCCCCCCBr
InChIInChI=1S/C6H14BrN/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyJKLWLHQDZJWQCR-UHFFFAOYSA-N
MW180.09 g/mol
LogP1.90
Rot. Bonds5

About 6-bromohexan-1-amine

6-bromohexan-1-amine (PubChem CID 3650626) has the molecular formula C6H14BrN and a molecular weight of 180.09 g/mol. Its IUPAC name is 6-bromohexan-1-amine.

Molecular Properties

Compound Name6-bromohexan-1-amine
PubChem CID3650626
Molecular FormulaC6H14BrN
Molecular Weight180.09 g/mol
Exact Mass179.03
IUPAC Name6-bromohexan-1-amine
SMILESNCCCCCCBr
InChIInChI=1S/C6H14BrN/c7-5-3-1-2-4-6-8/h1-6,8H2
InChIKeyJKLWLHQDZJWQCR-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 51.90
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'}

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Related Compounds

3-bromopropan-1-amine;hydron
CID 174641241
3-bromopropan-1-amine;hydrochloride
CID 12860765
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
1,40-dibromotetracontane
CID 11614635
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
octane-1,8-diamine;hydroiodide
CID 166637894
pentane-1,5-diamine;tantalum
CID 159829635
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683

Frequently Asked Questions

What is the IUPAC name of 6-bromohexan-1-amine?
The IUPAC name of 6-bromohexan-1-amine (CID 3650626) is 6-bromohexan-1-amine.
What is the SMILES notation for 6-bromohexan-1-amine?
The canonical SMILES for 6-bromohexan-1-amine is NCCCCCCBr.
What is the InChIKey of 6-bromohexan-1-amine?
The InChIKey is JKLWLHQDZJWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrN/c7-5-3-1-2-4-6-8/h1-6,8H2.
What are the key properties of 6-bromohexan-1-amine?
6-bromohexan-1-amine has a molecular weight of 180.09 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexan-1-amine is sourced from PubChem (CID 3650626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).