N-cyclohexylcinnolin-4-amine

C14H17N3 — CID 23247999

IUPACN-cyclohexylcinnolin-4-amine
SMILESc1ccc2c(NC3CCCCC3)cnnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-11(7-3-1)16-14-10-15-17-13-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2,(H,16,17)
InChIKeyMPGDKTKHLJBANF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.37
Rot. Bonds2

About N-cyclohexylcinnolin-4-amine

N-cyclohexylcinnolin-4-amine (PubChem CID 23247999) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclohexylcinnolin-4-amine.

Molecular Properties

Compound NameN-cyclohexylcinnolin-4-amine
PubChem CID23247999
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-cyclohexylcinnolin-4-amine
SMILESc1ccc2c(NC3CCCCC3)cnnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-11(7-3-1)16-14-10-15-17-13-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2,(H,16,17)
InChIKeyMPGDKTKHLJBANF-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcinnolin-4-amine?
The IUPAC name of N-cyclohexylcinnolin-4-amine (CID 23247999) is N-cyclohexylcinnolin-4-amine.
What is the SMILES notation for N-cyclohexylcinnolin-4-amine?
The canonical SMILES for N-cyclohexylcinnolin-4-amine is c1ccc2c(NC3CCCCC3)cnnc2c1.
What is the InChIKey of N-cyclohexylcinnolin-4-amine?
The InChIKey is MPGDKTKHLJBANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-11(7-3-1)16-14-10-15-17-13-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2,(H,16,17).
What are the key properties of N-cyclohexylcinnolin-4-amine?
N-cyclohexylcinnolin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcinnolin-4-amine is sourced from PubChem (CID 23247999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).