N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine

C13H19BrN2 — CID 102637695

IUPACN-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
SMILESCc1ccc(N(C)C2CCCCC2Br)nc1
InChIInChI=1S/C13H19BrN2/c1-10-7-8-13(15-9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVJQINFOUZMXNMY-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.53
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine

N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine (PubChem CID 102637695) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
PubChem CID102637695
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
SMILESCc1ccc(N(C)C2CCCCC2Br)nc1
InChIInChI=1S/C13H19BrN2/c1-10-7-8-13(15-9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVJQINFOUZMXNMY-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine (CID 102637695) is N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine is Cc1ccc(N(C)C2CCCCC2Br)nc1.
What is the InChIKey of N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine?
The InChIKey is VJQINFOUZMXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-7-8-13(15-9-10)16(2)12-6-4-3-5-11(12)14/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine?
N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 102637695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).