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

C11H18BrN3 — CID 106165583

IUPAC3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1ccc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-11(2,6-7-13)15-10-5-4-9(12)8-14-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyRQYVDJIOVXRWNO-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.77
Rot. Bonds5

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

3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine (PubChem CID 106165583) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
PubChem CID106165583
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1ccc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-3-11(2,6-7-13)15-10-5-4-9(12)8-14-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyRQYVDJIOVXRWNO-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
CID 131735909
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226685
3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113258140
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine (CID 106165583) is 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine is CCC(C)(CCN)Nc1ccc(Br)cn1.
What is the InChIKey of 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine?
The InChIKey is RQYVDJIOVXRWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-11(2,6-7-13)15-10-5-4-9(12)8-14-10/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine?
3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine is sourced from PubChem (CID 106165583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).