(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine

C10H15BrN2 — CID 130835904

IUPAC(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(Br)n1
InChIInChI=1S/C10H15BrN2/c1-3-7(2)10(12)8-5-4-6-9(11)13-8/h4-7,10H,3,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyLXOMDDIPNMQLOO-OMNKOJBGSA-N
MW243.15 g/mol
LogP2.89
Rot. Bonds3

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

(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine (PubChem CID 130835904) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
PubChem CID130835904
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(Br)n1
InChIInChI=1S/C10H15BrN2/c1-3-7(2)10(12)8-5-4-6-9(11)13-8/h4-7,10H,3,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyLXOMDDIPNMQLOO-OMNKOJBGSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.89
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,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
(1S)-1-(6-bromo-2-pyridinyl)propan-1-ol
CID 124585075
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
[(1S)-1-(6-bromo-2-pyridinyl)ethyl]azanium
CID 140601962
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
6-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 63961953
(2R,3S)-3-amino-3-(6-bromo-2-pyridinyl)-2-hydroxypropanoic acid
CID 131029134

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine (CID 130835904) is (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1cccc(Br)n1.
What is the InChIKey of (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine?
The InChIKey is LXOMDDIPNMQLOO-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-3-7(2)10(12)8-5-4-6-9(11)13-8/h4-7,10H,3,12H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of (1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine?
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.89, 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)-2-methylbutan-1-amine is sourced from PubChem (CID 130835904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).