N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine

C15H19N3 — CID 115689915

IUPACN-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NCCC2CCC2)c2ccccc12
InChIInChI=1S/C15H19N3/c1-11-13-7-2-3-8-14(13)15(18-17-11)16-10-9-12-5-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,16,18)
InChIKeyRFJVHLYCSBWSDN-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.54
Rot. Bonds4

About N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine

N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine (PubChem CID 115689915) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
PubChem CID115689915
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2-cyclobutylethyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NCCC2CCC2)c2ccccc12
InChIInChI=1S/C15H19N3/c1-11-13-7-2-3-8-14(13)15(18-17-11)16-10-9-12-5-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,16,18)
InChIKeyRFJVHLYCSBWSDN-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
CID 103603387
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
N-butyl-4-methylphthalazin-1-amine
CID 43395112
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
N-hexyl-4-methylphthalazin-1-amine
CID 60642126
N-(6-chlorohexyl)-4-methylphthalazin-1-amine
CID 107846136
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
CID 131914653
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
4-methyl-N-(3-morpholin-4-ium-4-ylpropyl)phthalazin-1-amine
CID 7830964

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine (CID 115689915) is N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine is Cc1nnc(NCCC2CCC2)c2ccccc12.
What is the InChIKey of N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine?
The InChIKey is RFJVHLYCSBWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-13-7-2-3-8-14(13)15(18-17-11)16-10-9-12-5-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine?
N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine has a molecular weight of 241.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 115689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).