2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine

C11H16BrN3 — CID 83844900

IUPAC2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine
SMILESCC(CN)N(c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C11H16BrN3/c1-8(6-13)15(10-3-4-10)11-5-2-9(12)7-14-11/h2,5,7-8,10H,3-4,6,13H2,1H3
InChIKeyNMNFHDIBOPFCSU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.16
Rot. Bonds4

About 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine

2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine (PubChem CID 83844900) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine
PubChem CID83844900
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine
SMILESCC(CN)N(c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C11H16BrN3/c1-8(6-13)15(10-3-4-10)11-5-2-9(12)7-14-11/h2,5,7-8,10H,3-4,6,13H2,1H3
InChIKeyNMNFHDIBOPFCSU-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine (CID 83844900) is 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine is CC(CN)N(c1ccc(Br)cn1)C1CC1.
What is the InChIKey of 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine?
The InChIKey is NMNFHDIBOPFCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8(6-13)15(10-3-4-10)11-5-2-9(12)7-14-11/h2,5,7-8,10H,3-4,6,13H2,1H3.
What are the key properties of 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine?
2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine has a molecular weight of 270.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-pyridinyl)-2-N-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 83844900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).