3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C13H18Br2N2 — CID 113394143

IUPAC3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ncc(Br)cc1Br)CNCC(C)C
InChIInChI=1S/C13H18Br2N2/c1-9(2)6-16-7-10(3)4-13-12(15)5-11(14)8-17-13/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyAKCHDVNCESSMLQ-UHFFFAOYSA-N
MW362.11 g/mol
LogP4.26
Rot. Bonds5

About 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 113394143) has the molecular formula C13H18Br2N2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID113394143
Molecular FormulaC13H18Br2N2
Molecular Weight362.11 g/mol
Exact Mass359.98
IUPAC Name3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ncc(Br)cc1Br)CNCC(C)C
InChIInChI=1S/C13H18Br2N2/c1-9(2)6-16-7-10(3)4-13-12(15)5-11(14)8-17-13/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyAKCHDVNCESSMLQ-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 113394137
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344064
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
2-[(4-bromothiophen-2-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339297
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
(E)-2-methyl-N-(2-methylpropyl)-3-(2,3,6-trichlorophenyl)prop-2-en-1-amine
CID 79337266
2,4-dimethyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 79341169
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 113394143) is 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1ncc(Br)cc1Br)CNCC(C)C.
What is the InChIKey of 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is AKCHDVNCESSMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2/c1-9(2)6-16-7-10(3)4-13-12(15)5-11(14)8-17-13/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 362.11 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 113394143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).