1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine

C11H17Br2N3 — CID 107159277

IUPAC1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H17Br2N3/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyLNTGTAVMJSISGN-UHFFFAOYSA-N
MW351.09 g/mol
LogP3.39
Rot. Bonds5

About 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine

1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine (PubChem CID 107159277) has the molecular formula C11H17Br2N3 and a molecular weight of 351.09 g/mol. Its IUPAC name is 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
PubChem CID107159277
Molecular FormulaC11H17Br2N3
Molecular Weight351.09 g/mol
Exact Mass348.98
IUPAC Name1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H17Br2N3/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyLNTGTAVMJSISGN-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.09
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine
CID 107156387
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159318
1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 107159352
3,5-dibromo-N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 104828759
4-methyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 107159425
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
N'-(5-bromo-3-methyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 79718760

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine (CID 107159277) is 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNc1ncc(Br)cc1Br.
What is the InChIKey of 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine?
The InChIKey is LNTGTAVMJSISGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2N3/c1-7(2)3-9(14)6-16-11-10(13)4-8(12)5-15-11/h4-5,7,9H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine?
1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine has a molecular weight of 351.09 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).