N-(7-methyloctyl)phthalazin-1-amine

C17H25N3 — CID 107816205

IUPACN-(7-methyloctyl)phthalazin-1-amine
SMILESCC(C)CCCCCCNc1nncc2ccccc12
InChIInChI=1S/C17H25N3/c1-14(2)9-5-3-4-8-12-18-17-16-11-7-6-10-15(16)13-19-20-17/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyCMXFFTGLDSIYIU-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.65
Rot. Bonds8

About N-(7-methyloctyl)phthalazin-1-amine

N-(7-methyloctyl)phthalazin-1-amine (PubChem CID 107816205) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(7-methyloctyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(7-methyloctyl)phthalazin-1-amine
PubChem CID107816205
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(7-methyloctyl)phthalazin-1-amine
SMILESCC(C)CCCCCCNc1nncc2ccccc12
InChIInChI=1S/C17H25N3/c1-14(2)9-5-3-4-8-12-18-17-16-11-7-6-10-15(16)13-19-20-17/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyCMXFFTGLDSIYIU-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.65
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-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
N-(7-methyloctyl)cinnolin-4-amine
CID 107816241
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-[3-(1H-1,2,4-triazol-5-yl)propyl]phthalazin-1-amine
CID 64532036
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
N-[2-(4-aminophenyl)ethyl]phthalazin-1-amine
CID 61220609

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)phthalazin-1-amine?
The IUPAC name of N-(7-methyloctyl)phthalazin-1-amine (CID 107816205) is N-(7-methyloctyl)phthalazin-1-amine.
What is the SMILES notation for N-(7-methyloctyl)phthalazin-1-amine?
The canonical SMILES for N-(7-methyloctyl)phthalazin-1-amine is CC(C)CCCCCCNc1nncc2ccccc12.
What is the InChIKey of N-(7-methyloctyl)phthalazin-1-amine?
The InChIKey is CMXFFTGLDSIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)9-5-3-4-8-12-18-17-16-11-7-6-10-15(16)13-19-20-17/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-(7-methyloctyl)phthalazin-1-amine?
N-(7-methyloctyl)phthalazin-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)phthalazin-1-amine is sourced from PubChem (CID 107816205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).