N-(pyridazin-4-ylmethyl)cyclohexanamine

C11H17N3 — CID 104670108

IUPACN-(pyridazin-4-ylmethyl)cyclohexanamine
SMILESc1cc(CNC2CCCCC2)cnn1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)12-8-10-6-7-13-14-9-10/h6-7,9,11-12H,1-5,8H2
InChIKeyCJWIBJBLONDTAE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.90
Rot. Bonds3

About N-(pyridazin-4-ylmethyl)cyclohexanamine

N-(pyridazin-4-ylmethyl)cyclohexanamine (PubChem CID 104670108) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(pyridazin-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(pyridazin-4-ylmethyl)cyclohexanamine
PubChem CID104670108
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(pyridazin-4-ylmethyl)cyclohexanamine
SMILESc1cc(CNC2CCCCC2)cnn1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)12-8-10-6-7-13-14-9-10/h6-7,9,11-12H,1-5,8H2
InChIKeyCJWIBJBLONDTAE-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-(pyridazin-4-ylmethyl)cyclohexanamine (CID 104670108) is N-(pyridazin-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(pyridazin-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(pyridazin-4-ylmethyl)cyclohexanamine is c1cc(CNC2CCCCC2)cnn1.
What is the InChIKey of N-(pyridazin-4-ylmethyl)cyclohexanamine?
The InChIKey is CJWIBJBLONDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-11(5-3-1)12-8-10-6-7-13-14-9-10/h6-7,9,11-12H,1-5,8H2.
What are the key properties of N-(pyridazin-4-ylmethyl)cyclohexanamine?
N-(pyridazin-4-ylmethyl)cyclohexanamine has a molecular weight of 191.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 104670108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).