6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine

C14H21BrN2 — CID 114050671

IUPAC6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NC1C(C)CCCC1C
InChIInChI=1S/C14H21BrN2/c1-9-5-4-6-10(2)14(9)17-12-7-8-13(15)16-11(12)3/h7-10,14,17H,4-6H2,1-3H3
InChIKeyNLIKLERZFKMQNN-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.39
Rot. Bonds2

About 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine

6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine (PubChem CID 114050671) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine
PubChem CID114050671
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NC1C(C)CCCC1C
InChIInChI=1S/C14H21BrN2/c1-9-5-4-6-10(2)14(9)17-12-7-8-13(15)16-11(12)3/h7-10,14,17H,4-6H2,1-3H3
InChIKeyNLIKLERZFKMQNN-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylcyclohexyl)-2-methylaniline
CID 43107290
N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
CID 103908703
N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
CID 141355361
5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
CID 95972202
N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 114050645
4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 103192978
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
CID 43097322
N-(2,6-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 116812890
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
N-(2,6-dimethylcyclohexyl)-4-propan-2-ylaniline
CID 43110755
N-cyclopropyl-2,6-dimethylpyridin-3-amine
CID 103439300

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine (CID 114050671) is 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine is Cc1nc(Br)ccc1NC1C(C)CCCC1C.
What is the InChIKey of 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine?
The InChIKey is NLIKLERZFKMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-5-4-6-10(2)14(9)17-12-7-8-13(15)16-11(12)3/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine?
6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 114050671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).