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

C12H18BrN3 — CID 105367269

IUPACN'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
SMILESCc1cnc(NCCCNC2CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-2-5-14-10-3-4-10/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeySPALKKWBTYIDQB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds6

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

N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine (PubChem CID 105367269) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
PubChem CID105367269
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
SMILESCc1cnc(NCCCNC2CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-2-5-14-10-3-4-10/h7-8,10,14H,2-6H2,1H3,(H,15,16)
InChIKeySPALKKWBTYIDQB-UHFFFAOYSA-N
XLogP2.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
N'-(3-bromo-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 79534716
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 102677386
N'-(5-bromo-3-chloro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 103582726
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
N'-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 104508181
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine (CID 105367269) is N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine is Cc1cnc(NCCCNC2CC2)c(Br)c1.
What is the InChIKey of N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
The InChIKey is SPALKKWBTYIDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-7-11(13)12(16-8-9)15-6-2-5-14-10-3-4-10/h7-8,10,14H,2-6H2,1H3,(H,15,16).
What are the key properties of N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine?
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine has a molecular weight of 284.20 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 105367269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).