N-(2,2-dimethylcyclohexyl)phthalazin-1-amine

C16H21N3 — CID 79870985

IUPACN-(2,2-dimethylcyclohexyl)phthalazin-1-amine
SMILESCC1(C)CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C16H21N3/c1-16(2)10-6-5-9-14(16)18-15-13-8-4-3-7-12(13)11-17-19-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,19)
InChIKeyLJHFHWVUVIXMHS-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.01
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)phthalazin-1-amine

N-(2,2-dimethylcyclohexyl)phthalazin-1-amine (PubChem CID 79870985) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)phthalazin-1-amine
PubChem CID79870985
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(2,2-dimethylcyclohexyl)phthalazin-1-amine
SMILESCC1(C)CCCCC1Nc1nncc2ccccc12
InChIInChI=1S/C16H21N3/c1-16(2)10-6-5-9-14(16)18-15-13-8-4-3-7-12(13)11-17-19-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,19)
InChIKeyLJHFHWVUVIXMHS-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)phthalazin-1-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)phthalazin-1-amine (CID 79870985) is N-(2,2-dimethylcyclohexyl)phthalazin-1-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)phthalazin-1-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)phthalazin-1-amine is CC1(C)CCCCC1Nc1nncc2ccccc12.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)phthalazin-1-amine?
The InChIKey is LJHFHWVUVIXMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)10-6-5-9-14(16)18-15-13-8-4-3-7-12(13)11-17-19-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-dimethylcyclohexyl)phthalazin-1-amine?
N-(2,2-dimethylcyclohexyl)phthalazin-1-amine has a molecular weight of 255.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)phthalazin-1-amine is sourced from PubChem (CID 79870985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).