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

C10H16BrN3 — CID 130505489

IUPAC1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNc1ncc(C)cc1Br
InChIInChI=1S/C10H16BrN3/c1-7-4-9(11)10(13-5-7)14-6-8(2)12-3/h4-5,8,12H,6H2,1-3H3,(H,13,14)
InChIKeyJTZIEKUZECDJPF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.17
Rot. Bonds4

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

1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine (PubChem CID 130505489) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
PubChem CID130505489
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
SMILESCNC(C)CNc1ncc(C)cc1Br
InChIInChI=1S/C10H16BrN3/c1-7-4-9(11)10(13-5-7)14-6-8(2)12-3/h4-5,8,12H,6H2,1-3H3,(H,13,14)
InChIKeyJTZIEKUZECDJPF-UHFFFAOYSA-N
XLogP2.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
CID 105366704
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
CID 122404054
3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 105367164

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine (CID 130505489) is 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine is CNC(C)CNc1ncc(C)cc1Br.
What is the InChIKey of 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is JTZIEKUZECDJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-4-9(11)10(13-5-7)14-6-8(2)12-3/h4-5,8,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130505489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).