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

C12H20BrN3 — CID 106875638

IUPAC1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1ccnc(NCC(C)(C)N(C)C)c1Br
InChIInChI=1S/C12H20BrN3/c1-9-6-7-14-11(10(9)13)15-8-12(2,3)16(4)5/h6-7H,8H2,1-5H3,(H,14,15)
InChIKeyMPCKMACKAJJJDJ-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.90
Rot. Bonds4

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

1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 106875638) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID106875638
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1ccnc(NCC(C)(C)N(C)C)c1Br
InChIInChI=1S/C12H20BrN3/c1-9-6-7-14-11(10(9)13)15-8-12(2,3)16(4)5/h6-7H,8H2,1-5H3,(H,14,15)
InChIKeyMPCKMACKAJJJDJ-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 106875638) is 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is Cc1ccnc(NCC(C)(C)N(C)C)c1Br.
What is the InChIKey of 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is MPCKMACKAJJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-9-6-7-14-11(10(9)13)15-8-12(2,3)16(4)5/h6-7H,8H2,1-5H3,(H,14,15).
What are the key properties of 1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 286.22 g/mol, XLogP of 2.90, 4 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)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 106875638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).