N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine

C14H17N3 — CID 61222397

IUPACN-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NC2CC2(C)C)c2ccccc12
InChIInChI=1S/C14H17N3/c1-9-10-6-4-5-7-11(10)13(17-16-9)15-12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)
InChIKeyJQVGTCUPDCDUCY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine

N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine (PubChem CID 61222397) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
PubChem CID61222397
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NC2CC2(C)C)c2ccccc12
InChIInChI=1S/C14H17N3/c1-9-10-6-4-5-7-11(10)13(17-16-9)15-12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)
InChIKeyJQVGTCUPDCDUCY-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine (CID 61222397) is N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine is Cc1nnc(NC2CC2(C)C)c2ccccc12.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine?
The InChIKey is JQVGTCUPDCDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-10-6-4-5-7-11(10)13(17-16-9)15-12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17).
What are the key properties of N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine?
N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 61222397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).