N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

C15H24N4 — CID 106895203

IUPACN-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1cnnc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C15H24N4/c1-2-7-15(13(6-1)14-8-4-9-16-14)17-11-12-5-3-10-18-19-12/h3,5,10,13-17H,1-2,4,6-9,11H2
InChIKeyAEEUGVALNYTPJZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.88
Rot. Bonds4

About N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 106895203) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID106895203
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1cnnc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C15H24N4/c1-2-7-15(13(6-1)14-8-4-9-16-14)17-11-12-5-3-10-18-19-12/h3,5,10,13-17H,1-2,4,6-9,11H2
InChIKeyAEEUGVALNYTPJZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 106895203) is N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is c1cnnc(CNC2CCCCC2C2CCCN2)c1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is AEEUGVALNYTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-7-15(13(6-1)14-8-4-9-16-14)17-11-12-5-3-10-18-19-12/h3,5,10,13-17H,1-2,4,6-9,11H2.
What are the key properties of N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106895203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).