N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine

C23H27N3 — CID 58326555

IUPACN-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine
SMILESCCCN(CC1CC1)c1nnc(-c2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C23H27N3/c1-4-14-26(15-18-12-13-18)23-20-11-6-5-10-19(20)22(24-25-23)21-16(2)8-7-9-17(21)3/h5-11,18H,4,12-15H2,1-3H3
InChIKeyGTJHFBMMKVMGCV-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.54
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine

N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine (PubChem CID 58326555) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine
PubChem CID58326555
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC NameN-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine
SMILESCCCN(CC1CC1)c1nnc(-c2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C23H27N3/c1-4-14-26(15-18-12-13-18)23-20-11-6-5-10-19(20)22(24-25-23)21-16(2)8-7-9-17(21)3/h5-11,18H,4,12-15H2,1-3H3
InChIKeyGTJHFBMMKVMGCV-UHFFFAOYSA-N
XLogP5.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine (CID 58326555) is N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine is CCCN(CC1CC1)c1nnc(-c2c(C)cccc2C)c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine?
The InChIKey is GTJHFBMMKVMGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-4-14-26(15-18-12-13-18)23-20-11-6-5-10-19(20)22(24-25-23)21-16(2)8-7-9-17(21)3/h5-11,18H,4,12-15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine?
N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine has a molecular weight of 345.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2,6-dimethylphenyl)-N-propylphthalazin-1-amine is sourced from PubChem (CID 58326555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).