3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine

C14H21BrN2 — CID 105366898

IUPAC3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NC(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-10-8-13(15)14(16-9-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyLDPHAZLAYCHEQU-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.53
Rot. Bonds3

About 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine

3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine (PubChem CID 105366898) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
PubChem CID105366898
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
SMILESCc1cnc(NC(C)C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-10-8-13(15)14(16-9-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyLDPHAZLAYCHEQU-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55199408
N-(1-cyclopentylethyl)-5-methylpyridin-3-amine
CID 115922263
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
2-N-(1-cyclopropylethyl)-5-methylpyridine-2,3-diamine
CID 66281048
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
N-(1-cyclohexylethyl)-3,5-difluoropyridin-2-amine
CID 112675822
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
CID 82762032
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
CID 105367341
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine (CID 105366898) is 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine is Cc1cnc(NC(C)C2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine?
The InChIKey is LDPHAZLAYCHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-8-13(15)14(16-9-10)17-11(2)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine?
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine has a molecular weight of 297.24 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105366898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).