1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine

C10H16BrN3 — CID 106879126

IUPAC1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
SMILESCc1ccnc(N(C)CC(C)N)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-4-5-13-10(9(7)11)14(3)6-8(2)12/h4-5,8H,6,12H2,1-3H3
InChIKeyQORSTQBKXIUGNU-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.94
Rot. Bonds3

About 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine

1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine (PubChem CID 106879126) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
PubChem CID106879126
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
SMILESCc1ccnc(N(C)CC(C)N)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-4-5-13-10(9(7)11)14(3)6-8(2)12/h4-5,8H,6,12H2,1-3H3
InChIKeyQORSTQBKXIUGNU-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 106879187
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
3-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]butanethioamide
CID 106875298
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 83844357

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine (CID 106879126) is 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine is Cc1ccnc(N(C)CC(C)N)c1Br.
What is the InChIKey of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is QORSTQBKXIUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-4-5-13-10(9(7)11)14(3)6-8(2)12/h4-5,8H,6,12H2,1-3H3.
What are the key properties of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 258.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 106879126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).