4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine

C17H23N3 — CID 63541033

IUPAC4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
SMILESCc1nnc(NCC2CCCCC2C)c2ccccc12
InChIInChI=1S/C17H23N3/c1-12-7-3-4-8-14(12)11-18-17-16-10-6-5-9-15(16)13(2)19-20-17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,20)
InChIKeyIBQWNKWVXJVLMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.18
Rot. Bonds3

About 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine

4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine (PubChem CID 63541033) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
PubChem CID63541033
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
SMILESCc1nnc(NCC2CCCCC2C)c2ccccc12
InChIInChI=1S/C17H23N3/c1-12-7-3-4-8-14(12)11-18-17-16-10-6-5-9-15(16)13(2)19-20-17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,20)
InChIKeyIBQWNKWVXJVLMB-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine?
The IUPAC name of 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine (CID 63541033) is 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine is Cc1nnc(NCC2CCCCC2C)c2ccccc12.
What is the InChIKey of 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine?
The InChIKey is IBQWNKWVXJVLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-3-4-8-14(12)11-18-17-16-10-6-5-9-15(16)13(2)19-20-17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine?
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 63541033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).