3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine

C13H19BrN2 — CID 105366700

IUPAC3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-7-12(14)13(15-8-10)16-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyACGYYQOVTXGANG-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.14
Rot. Bonds3

About 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine

3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine (PubChem CID 105366700) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
PubChem CID105366700
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NCC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-7-12(14)13(15-8-10)16-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyACGYYQOVTXGANG-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
3-bromo-2-(cyclohexylmethyl)-5-methylpyridine
CID 83920300
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine (CID 105366700) is 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine is Cc1cnc(NCC2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine?
The InChIKey is ACGYYQOVTXGANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-7-12(14)13(15-8-10)16-9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine?
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105366700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).