3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine

C12H15BrN2 — CID 105367746

IUPAC3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ncc(C)cc1Br
InChIInChI=1S/C12H15BrN2/c1-4-6-15(7-5-2)12-11(13)8-10(3)9-14-12/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyOMFUQBSNLXIMMA-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.33
Rot. Bonds5

About 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine

3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine (PubChem CID 105367746) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
PubChem CID105367746
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ncc(C)cc1Br
InChIInChI=1S/C12H15BrN2/c1-4-6-15(7-5-2)12-11(13)8-10(3)9-14-12/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyOMFUQBSNLXIMMA-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
6-[bis(prop-2-enyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80632146
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 105368853
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 105366621
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
CID 11148358
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine (CID 105367746) is 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine is C=CCN(CC=C)c1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine?
The InChIKey is OMFUQBSNLXIMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-4-6-15(7-5-2)12-11(13)8-10(3)9-14-12/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine?
3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine has a molecular weight of 267.17 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N,N-bis(prop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 105367746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).