5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine

C14H21BrN2 — CID 107079358

IUPAC5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)C1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyHEONHODTZFXGHD-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.05
Rot. Bonds3

About 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine

5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine (PubChem CID 107079358) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
PubChem CID107079358
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)C1CCCCC1
InChIInChI=1S/C14H21BrN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3
InChIKeyHEONHODTZFXGHD-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(bromomethyl)-N,3-dimethyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 107082051
N-cyclohexyl-5-[(2-methoxyethylamino)methyl]-N,3-dimethylpyridin-2-amine
CID 80631236
5-(2-aminoethyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633656
5-(bromomethyl)-N-cycloheptyl-N-methylpyridin-2-amine
CID 107080628
5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
CID 107079365
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine (CID 107079358) is 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine is Cc1cc(CBr)cnc1N(C)C1CCCCC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
The InChIKey is HEONHODTZFXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine?
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine has a molecular weight of 297.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 107079358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).