(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride

C10H14BrClN2 — CID 171198685

IUPAC(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cncc(Br)c1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c1-7(2)3-10(12)8-4-9(11)6-13-5-8;/h4-6,10H,1,3,12H2,2H3;1H/t10-;/m1./s1
InChIKeyQGEHEERYLPPRQM-HNCPQSOCSA-N
MW277.59 g/mol
LogP3.23
Rot. Bonds3

About (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride

(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride (PubChem CID 171198685) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
PubChem CID171198685
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cncc(Br)c1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c1-7(2)3-10(12)8-4-9(11)6-13-5-8;/h4-6,10H,1,3,12H2,2H3;1H/t10-;/m1./s1
InChIKeyQGEHEERYLPPRQM-HNCPQSOCSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride (CID 171198685) is (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride is C=C(C)C[C@@H](N)c1cncc(Br)c1.Cl.
What is the InChIKey of (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride?
The InChIKey is QGEHEERYLPPRQM-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c1-7(2)3-10(12)8-4-9(11)6-13-5-8;/h4-6,10H,1,3,12H2,2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride?
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride has a molecular weight of 277.59 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171198685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).