N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine

C14H19N3 — CID 55163371

IUPACN-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine
SMILESCNC(C)C(C)c1nnc(C)c2ccccc12
InChIInChI=1S/C14H19N3/c1-9(10(2)15-4)14-13-8-6-5-7-12(13)11(3)16-17-14/h5-10,15H,1-4H3
InChIKeyUXXYHVNKKIGWSE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.65
Rot. Bonds3

About N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine

N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine (PubChem CID 55163371) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine
PubChem CID55163371
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine
SMILESCNC(C)C(C)c1nnc(C)c2ccccc12
InChIInChI=1S/C14H19N3/c1-9(10(2)15-4)14-13-8-6-5-7-12(13)11(3)16-17-14/h5-10,15H,1-4H3
InChIKeyUXXYHVNKKIGWSE-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine (CID 55163371) is N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine is CNC(C)C(C)c1nnc(C)c2ccccc12.
What is the InChIKey of N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine?
The InChIKey is UXXYHVNKKIGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(10(2)15-4)14-13-8-6-5-7-12(13)11(3)16-17-14/h5-10,15H,1-4H3.
What are the key properties of N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine?
N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphthalazin-1-yl)butan-2-amine is sourced from PubChem (CID 55163371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).