4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine

C15H21N3 — CID 43517114

IUPAC4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine
SMILESCc1nnc(NC(C)CC(C)C)c2ccccc12
InChIInChI=1S/C15H21N3/c1-10(2)9-11(3)16-15-14-8-6-5-7-13(14)12(4)17-18-15/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyQZEYTNVVKCGOPT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine

4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine (PubChem CID 43517114) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine
PubChem CID43517114
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine
SMILESCc1nnc(NC(C)CC(C)C)c2ccccc12
InChIInChI=1S/C15H21N3/c1-10(2)9-11(3)16-15-14-8-6-5-7-13(14)12(4)17-18-15/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyQZEYTNVVKCGOPT-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphthalazin-1-yl)amino]propane-1,3-diol
CID 65314332
2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
CID 63765675
N-ethyl-4-methylphthalazin-1-amine
CID 43395120
N-(3-chlorobutyl)-4-methylphthalazin-1-amine
CID 65028371
2-methyl-3-[(4-methylphthalazin-1-yl)amino]propan-1-ol
CID 61362219
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
1-(4-methylpentan-2-ylamino)isoquinoline-4-carboxylic acid
CID 106766559
5-[(4-methylphthalazin-1-yl)amino]pentan-2-ol
CID 107269340
4-methyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]phthalazin-1-amine
CID 134713109
3-methyl-3-[(4-methylphthalazin-1-yl)amino]butan-2-ol
CID 115865825
2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
CID 43517093
1-[2-[(4-methylphthalazin-1-yl)amino]ethylamino]propan-2-ol
CID 104594455

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine (CID 43517114) is 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine is Cc1nnc(NC(C)CC(C)C)c2ccccc12.
What is the InChIKey of 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine?
The InChIKey is QZEYTNVVKCGOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)9-11(3)16-15-14-8-6-5-7-13(14)12(4)17-18-15/h5-8,10-11H,9H2,1-4H3,(H,16,18).
What are the key properties of 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine?
4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentan-2-yl)phthalazin-1-amine is sourced from PubChem (CID 43517114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).