N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine

C18H25N3 — CID 103967080

IUPACN-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine
SMILESCC1(C)CC(Nc2nncc3ccccc23)CC(C)(C)C1
InChIInChI=1S/C18H25N3/c1-17(2)9-14(10-18(3,4)12-17)20-16-15-8-6-5-7-13(15)11-19-21-16/h5-8,11,14H,9-10,12H2,1-4H3,(H,20,21)
InChIKeySCGMADSFBFSVKK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.65
Rot. Bonds2

About N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine

N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine (PubChem CID 103967080) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine
PubChem CID103967080
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine
SMILESCC1(C)CC(Nc2nncc3ccccc23)CC(C)(C)C1
InChIInChI=1S/C18H25N3/c1-17(2)9-14(10-18(3,4)12-17)20-16-15-8-6-5-7-13(15)11-19-21-16/h5-8,11,14H,9-10,12H2,1-4H3,(H,20,21)
InChIKeySCGMADSFBFSVKK-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine?
The IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine (CID 103967080) is N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine.
What is the SMILES notation for N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine?
The canonical SMILES for N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine is CC1(C)CC(Nc2nncc3ccccc23)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine?
The InChIKey is SCGMADSFBFSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-17(2)9-14(10-18(3,4)12-17)20-16-15-8-6-5-7-13(15)11-19-21-16/h5-8,11,14H,9-10,12H2,1-4H3,(H,20,21).
What are the key properties of N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine?
N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine is sourced from PubChem (CID 103967080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).