N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine

C14H20N4 — CID 62586186

IUPACN'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
SMILESCCCCN(CCN)c1nncc2ccccc12
InChIInChI=1S/C14H20N4/c1-2-3-9-18(10-8-15)14-13-7-5-4-6-12(13)11-16-17-14/h4-7,11H,2-3,8-10,15H2,1H3
InChIKeyXOMVOTJLGONOGT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds6

About N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine

N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine (PubChem CID 62586186) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
PubChem CID62586186
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
SMILESCCCCN(CCN)c1nncc2ccccc12
InChIInChI=1S/C14H20N4/c1-2-3-9-18(10-8-15)14-13-7-5-4-6-12(13)11-16-17-14/h4-7,11H,2-3,8-10,15H2,1H3
InChIKeyXOMVOTJLGONOGT-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine (CID 62586186) is N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine is CCCCN(CCN)c1nncc2ccccc12.
What is the InChIKey of N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine?
The InChIKey is XOMVOTJLGONOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-3-9-18(10-8-15)14-13-7-5-4-6-12(13)11-16-17-14/h4-7,11H,2-3,8-10,15H2,1H3.
What are the key properties of N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine?
N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine is sourced from PubChem (CID 62586186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).