N-hexyl-4-methylphthalazin-1-amine

C15H21N3 — CID 60642126

IUPACN-hexyl-4-methylphthalazin-1-amine
SMILESCCCCCCNc1nnc(C)c2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-5-8-11-16-15-14-10-7-6-9-13(14)12(2)17-18-15/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,18)
InChIKeyRIHMURAXTRNHBX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.93
Rot. Bonds6

About N-hexyl-4-methylphthalazin-1-amine

N-hexyl-4-methylphthalazin-1-amine (PubChem CID 60642126) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-hexyl-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-hexyl-4-methylphthalazin-1-amine
PubChem CID60642126
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-hexyl-4-methylphthalazin-1-amine
SMILESCCCCCCNc1nnc(C)c2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-5-8-11-16-15-14-10-7-6-9-13(14)12(2)17-18-15/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,18)
InChIKeyRIHMURAXTRNHBX-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-methylphthalazin-1-amine
CID 43395112
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136
4-methyl-N-(5-methylsulfanylpentyl)phthalazin-1-amine
CID 104925473
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
CID 103603387
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
CID 115689915
4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
CID 7830964
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
CID 104594455

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methylphthalazin-1-amine?
The IUPAC name of N-hexyl-4-methylphthalazin-1-amine (CID 60642126) is N-hexyl-4-methylphthalazin-1-amine.
What is the SMILES notation for N-hexyl-4-methylphthalazin-1-amine?
The canonical SMILES for N-hexyl-4-methylphthalazin-1-amine is CCCCCCNc1nnc(C)c2ccccc12.
What is the InChIKey of N-hexyl-4-methylphthalazin-1-amine?
The InChIKey is RIHMURAXTRNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-5-8-11-16-15-14-10-7-6-9-13(14)12(2)17-18-15/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,16,18).
What are the key properties of N-hexyl-4-methylphthalazin-1-amine?
N-hexyl-4-methylphthalazin-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methylphthalazin-1-amine is sourced from PubChem (CID 60642126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).