(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine

C10H13BrN2 — CID 130869347

IUPAC(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cccnc1Br
InChIInChI=1S/C10H13BrN2/c1-7(2)6-9(12)8-4-3-5-13-10(8)11/h3-5,9H,1,6,12H2,2H3/t9-/m1/s1
InChIKeyQJOJJRWANYZPOE-SECBINFHSA-N
MW241.13 g/mol
LogP2.81
Rot. Bonds3

About (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine

(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine (PubChem CID 130869347) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
PubChem CID130869347
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cccnc1Br
InChIInChI=1S/C10H13BrN2/c1-7(2)6-9(12)8-4-3-5-13-10(8)11/h3-5,9H,1,6,12H2,2H3/t9-/m1/s1
InChIKeyQJOJJRWANYZPOE-SECBINFHSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
CID 130865139
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130642809
(1S)-1-(2-bromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171217579
3-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
CID 79178492
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308
1-(3-ethyl-2-pyridinyl)-3-methylbut-3-en-1-amine
CID 82730508

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine?
The IUPAC name of (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine (CID 130869347) is (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine is C=C(C)C[C@@H](N)c1cccnc1Br.
What is the InChIKey of (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine?
The InChIKey is QJOJJRWANYZPOE-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7(2)6-9(12)8-4-3-5-13-10(8)11/h3-5,9H,1,6,12H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine?
(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine has a molecular weight of 241.13 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 130869347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).