(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride

C11H18BrClN2 — CID 171203436

IUPAC(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccnc(Br)c1.Cl
InChIInChI=1S/C11H17BrN2.ClH/c1-2-3-4-5-10(13)9-6-7-14-11(12)8-9;/h6-8,10H,2-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeySIRAWGORXAMKAU-HNCPQSOCSA-N
MW293.64 g/mol
LogP3.85
Rot. Bonds5

About (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride

(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride (PubChem CID 171203436) has the molecular formula C11H18BrClN2 and a molecular weight of 293.64 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
PubChem CID171203436
Molecular FormulaC11H18BrClN2
Molecular Weight293.64 g/mol
Exact Mass292.03
IUPAC Name(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccnc(Br)c1.Cl
InChIInChI=1S/C11H17BrN2.ClH/c1-2-3-4-5-10(13)9-6-7-14-11(12)8-9;/h6-8,10H,2-5,13H2,1H3;1H/t10-;/m1./s1
InChIKeySIRAWGORXAMKAU-HNCPQSOCSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171222997
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313619
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(3-bromophenyl)hexan-1-amine
CID 62602572
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride (CID 171203436) is (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccnc(Br)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride?
The InChIKey is SIRAWGORXAMKAU-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17BrN2.ClH/c1-2-3-4-5-10(13)9-6-7-14-11(12)8-9;/h6-8,10H,2-5,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride has a molecular weight of 293.64 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171203436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).