N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine

C15H18BrN3 — CID 102637586

IUPACN-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
SMILESCN(c1cnnc2ccccc12)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-10-17-18-13-8-4-2-6-11(13)15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3
InChIKeyVCGZNRLJRWLYNY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.77
Rot. Bonds2

About N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine

N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine (PubChem CID 102637586) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
PubChem CID102637586
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
SMILESCN(c1cnnc2ccccc12)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-10-17-18-13-8-4-2-6-11(13)15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3
InChIKeyVCGZNRLJRWLYNY-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylcinnolin-4-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine (CID 102637586) is N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine is CN(c1cnnc2ccccc12)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine?
The InChIKey is VCGZNRLJRWLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-10-17-18-13-8-4-2-6-11(13)15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine?
N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine is sourced from PubChem (CID 102637586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).