N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine

C15H21N3 — CID 55162594

IUPACN-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine
SMILESCCCC(Cc1nnc(C)c2ccccc12)NC
InChIInChI=1S/C15H21N3/c1-4-7-12(16-3)10-15-14-9-6-5-8-13(14)11(2)17-18-15/h5-6,8-9,12,16H,4,7,10H2,1-3H3
InChIKeyWHFJJWGOHBYGGU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.87
Rot. Bonds5

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

N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine (PubChem CID 55162594) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine
PubChem CID55162594
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine
SMILESCCCC(Cc1nnc(C)c2ccccc12)NC
InChIInChI=1S/C15H21N3/c1-4-7-12(16-3)10-15-14-9-6-5-8-13(14)11(2)17-18-15/h5-6,8-9,12,16H,4,7,10H2,1-3H3
InChIKeyWHFJJWGOHBYGGU-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine (CID 55162594) is N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine is CCCC(Cc1nnc(C)c2ccccc12)NC.
What is the InChIKey of N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine?
The InChIKey is WHFJJWGOHBYGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-7-12(16-3)10-15-14-9-6-5-8-13(14)11(2)17-18-15/h5-6,8-9,12,16H,4,7,10H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine?
N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphthalazin-1-yl)pentan-2-amine is sourced from PubChem (CID 55162594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).