2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine

C11H16BrN3 — CID 115308213

IUPAC2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1ncccc1Br)C1CC1
InChIInChI=1S/C11H16BrN3/c1-11(7-13,8-4-5-8)15-10-9(12)3-2-6-14-10/h2-3,6,8H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyAMHMCGMTXKQVAD-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.38
Rot. Bonds4

About 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine

2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine (PubChem CID 115308213) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
PubChem CID115308213
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
SMILESCC(CN)(Nc1ncccc1Br)C1CC1
InChIInChI=1S/C11H16BrN3/c1-11(7-13,8-4-5-8)15-10-9(12)3-2-6-14-10/h2-3,6,8H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyAMHMCGMTXKQVAD-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-N-(3-methylpyrazin-2-yl)propane-1,2-diamine
CID 83064092
3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
CID 130951973
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
2-cyclopropyl-2-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 115308174
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
CID 115308091
2-cyclopropyl-2-N-(5-methyl-2-pyridinyl)propane-1,2-diamine
CID 115308081
2-N-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 104508299
2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
CID 115308062
2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 113283580

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine (CID 115308213) is 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine is CC(CN)(Nc1ncccc1Br)C1CC1.
What is the InChIKey of 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
The InChIKey is AMHMCGMTXKQVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-11(7-13,8-4-5-8)15-10-9(12)3-2-6-14-10/h2-3,6,8H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine?
2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine has a molecular weight of 270.17 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 115308213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).