N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine

C16H26BrN3 — CID 79712548

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
SMILESCc1cc(Br)cnc1N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H26BrN3/c1-13-11-14(17)12-19-16(13)20(10-6-9-18)15-7-4-2-3-5-8-15/h11-12,15H,2-10,18H2,1H3
InChIKeyAJHFNOZCQPHLPL-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.03
Rot. Bonds5

About N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine (PubChem CID 79712548) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
PubChem CID79712548
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
SMILESCc1cc(Br)cnc1N(CCCN)C1CCCCCC1
InChIInChI=1S/C16H26BrN3/c1-13-11-14(17)12-19-16(13)20(10-6-9-18)15-7-4-2-3-5-8-15/h11-12,15H,2-10,18H2,1H3
InChIKeyAJHFNOZCQPHLPL-UHFFFAOYSA-N
XLogP4.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine (CID 79712548) is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine is Cc1cc(Br)cnc1N(CCCN)C1CCCCCC1.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine?
The InChIKey is AJHFNOZCQPHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-13-11-14(17)12-19-16(13)20(10-6-9-18)15-7-4-2-3-5-8-15/h11-12,15H,2-10,18H2,1H3.
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine has a molecular weight of 340.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine is sourced from PubChem (CID 79712548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).