N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine

C11H18BrN3 — CID 107845203

IUPACN'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
SMILESNCCCCCCNc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c12-10-6-5-9-15-11(10)14-8-4-2-1-3-7-13/h5-6,9H,1-4,7-8,13H2,(H,14,15)
InChIKeyOZIGMCGKTXJBOB-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.78
Rot. Bonds7

About N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine

N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine (PubChem CID 107845203) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
PubChem CID107845203
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
SMILESNCCCCCCNc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c12-10-6-5-9-15-11(10)14-8-4-2-1-3-7-13/h5-6,9H,1-4,7-8,13H2,(H,14,15)
InChIKeyOZIGMCGKTXJBOB-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
3-bromo-N-(2-phenylsulfanylethyl)pyridin-2-amine
CID 61375421
N-benzyl-3-bromopyridin-2-amine
CID 11708714

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine?
The IUPAC name of N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine (CID 107845203) is N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine?
The canonical SMILES for N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine is NCCCCCCNc1ncccc1Br.
What is the InChIKey of N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine?
The InChIKey is OZIGMCGKTXJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c12-10-6-5-9-15-11(10)14-8-4-2-1-3-7-13/h5-6,9H,1-4,7-8,13H2,(H,14,15).
What are the key properties of N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine?
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine is sourced from PubChem (CID 107845203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).