N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

C11H16BrN3 — CID 79718760

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1cc(Br)cnc1NCC(N)C1CC1
InChIInChI=1S/C11H16BrN3/c1-7-4-9(12)5-14-11(7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyMZRHLJINWSKODV-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.30
Rot. Bonds4

About N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 79718760) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
PubChem CID79718760
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESCc1cc(Br)cnc1NCC(N)C1CC1
InChIInChI=1S/C11H16BrN3/c1-7-4-9(12)5-14-11(7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyMZRHLJINWSKODV-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 115148665
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (CID 79718760) is N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is Cc1cc(Br)cnc1NCC(N)C1CC1.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is MZRHLJINWSKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-7-4-9(12)5-14-11(7)15-6-10(13)8-2-3-8/h4-5,8,10H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 270.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 79718760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).