2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine

C15H20N4 — CID 102639442

IUPAC2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine
SMILESCN(c1nncc2ccccc12)C1CCCCC1N
InChIInChI=1S/C15H20N4/c1-19(14-9-5-4-8-13(14)16)15-12-7-3-2-6-11(12)10-17-18-15/h2-3,6-7,10,13-14H,4-5,8-9,16H2,1H3
InChIKeyFWNMJMJHQCYESF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds2

About 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine

2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine (PubChem CID 102639442) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine
PubChem CID102639442
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine
SMILESCN(c1nncc2ccccc12)C1CCCCC1N
InChIInChI=1S/C15H20N4/c1-19(14-9-5-4-8-13(14)16)15-12-7-3-2-6-11(12)10-17-18-15/h2-3,6-7,10,13-14H,4-5,8-9,16H2,1H3
InChIKeyFWNMJMJHQCYESF-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine (CID 102639442) is 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine is CN(c1nncc2ccccc12)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine?
The InChIKey is FWNMJMJHQCYESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(14-9-5-4-8-13(14)16)15-12-7-3-2-6-11(12)10-17-18-15/h2-3,6-7,10,13-14H,4-5,8-9,16H2,1H3.
What are the key properties of 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine?
2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).