N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine

C15H20N4 — CID 114759162

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCC2(CCN)CC2)c2ccccc12
InChIInChI=1S/C15H20N4/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-10-15(6-7-15)8-9-16/h2-5H,6-10,16H2,1H3,(H,17,19)
InChIKeyXJQLDORMTWMADN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.48
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine (PubChem CID 114759162) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
PubChem CID114759162
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCC2(CCN)CC2)c2ccccc12
InChIInChI=1S/C15H20N4/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-10-15(6-7-15)8-9-16/h2-5H,6-10,16H2,1H3,(H,17,19)
InChIKeyXJQLDORMTWMADN-UHFFFAOYSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine (CID 114759162) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine is Cc1nnc(NCC2(CCN)CC2)c2ccccc12.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine?
The InChIKey is XJQLDORMTWMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-12-4-2-3-5-13(12)14(19-18-11)17-10-15(6-7-15)8-9-16/h2-5H,6-10,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 114759162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).