N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C16H26BrN3 — CID 115938175

IUPACN-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cccc(Br)n1)C1CCCCC1
InChIInChI=1S/C16H26BrN3/c1-20(15-8-3-2-4-9-15)12-6-11-18-13-14-7-5-10-16(17)19-14/h5,7,10,15,18H,2-4,6,8-9,11-13H2,1H3
InChIKeyJRBMEJLLRWPDDM-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.59
Rot. Bonds7

About N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 115938175) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID115938175
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cccc(Br)n1)C1CCCCC1
InChIInChI=1S/C16H26BrN3/c1-20(15-8-3-2-4-9-15)12-6-11-18-13-14-7-5-10-16(17)19-14/h5,7,10,15,18H,2-4,6,8-9,11-13H2,1H3
InChIKeyJRBMEJLLRWPDDM-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N'-cyclohexyl-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 60777015

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 115938175) is N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine is CN(CCCNCc1cccc(Br)n1)C1CCCCC1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is JRBMEJLLRWPDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-20(15-8-3-2-4-9-15)12-6-11-18-13-14-7-5-10-16(17)19-14/h5,7,10,15,18H,2-4,6,8-9,11-13H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 340.31 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).