1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine

C13H22N4 — CID 116970844

IUPAC1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
SMILESCC(N)CCNc1ccc(C2CCCC2)nn1
InChIInChI=1S/C13H22N4/c1-10(14)8-9-15-13-7-6-12(16-17-13)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,17)
InChIKeyJKXQWJDHOBLFBZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.28
Rot. Bonds5

About 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine

1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine (PubChem CID 116970844) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
PubChem CID116970844
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
SMILESCC(N)CCNc1ccc(C2CCCC2)nn1
InChIInChI=1S/C13H22N4/c1-10(14)8-9-15-13-7-6-12(16-17-13)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,17)
InChIKeyJKXQWJDHOBLFBZ-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine (CID 116970844) is 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine is CC(N)CCNc1ccc(C2CCCC2)nn1.
What is the InChIKey of 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine?
The InChIKey is JKXQWJDHOBLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(14)8-9-15-13-7-6-12(16-17-13)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,17).
What are the key properties of 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine?
1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 116970844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).