N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine

C16H21N3O — CID 103603387

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCCCOCC2CC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-14-5-2-3-6-15(14)16(19-18-12)17-9-4-10-20-11-13-7-8-13/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,19)
InChIKeyFSPKZJAOGONDLY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine

N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine (PubChem CID 103603387) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
PubChem CID103603387
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCCCOCC2CC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-14-5-2-3-6-15(14)16(19-18-12)17-9-4-10-20-11-13-7-8-13/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,19)
InChIKeyFSPKZJAOGONDLY-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine (CID 103603387) is N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine is Cc1nnc(NCCCOCC2CC2)c2ccccc12.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine?
The InChIKey is FSPKZJAOGONDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-14-5-2-3-6-15(14)16(19-18-12)17-9-4-10-20-11-13-7-8-13/h2-3,5-6,13H,4,7-11H2,1H3,(H,17,19).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 103603387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).