N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine

C15H20N4O — CID 106298338

IUPACN-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NC2(CN)CCOCC2)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-15(10-16)6-8-20-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19)
InChIKeyJMLKWFCOWSGTFE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.86
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine

N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine (PubChem CID 106298338) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine
PubChem CID106298338
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NC2(CN)CCOCC2)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-15(10-16)6-8-20-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19)
InChIKeyJMLKWFCOWSGTFE-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine (CID 106298338) is N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine is Cc1nnc(NC2(CN)CCOCC2)c2ccccc12.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine?
The InChIKey is JMLKWFCOWSGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-15(10-16)6-8-20-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine?
N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine has a molecular weight of 272.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 106298338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).