(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride

C10H16BrClN2 — CID 171203397

IUPAC(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C10H15BrN2.ClH/c1-7(2)6-8(12)9-4-3-5-10(11)13-9;/h3-5,7-8H,6,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyAKTAQJCLLRBVBA-DDWIOCJRSA-N
MW279.61 g/mol
LogP3.31
Rot. Bonds3

About (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171203397) has the molecular formula C10H16BrClN2 and a molecular weight of 279.61 g/mol. Its IUPAC name is (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171203397
Molecular FormulaC10H16BrClN2
Molecular Weight279.61 g/mol
Exact Mass278.02
IUPAC Name(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1cccc(Br)n1.Cl
InChIInChI=1S/C10H15BrN2.ClH/c1-7(2)6-8(12)9-4-3-5-10(11)13-9;/h3-5,7-8H,6,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyAKTAQJCLLRBVBA-DDWIOCJRSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
CID 140601962

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride (CID 171203397) is (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1cccc(Br)n1.Cl.
What is the InChIKey of (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is AKTAQJCLLRBVBA-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15BrN2.ClH/c1-7(2)6-8(12)9-4-3-5-10(11)13-9;/h3-5,7-8H,6,12H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 279.61 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171203397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).