(1S)-1-cyclohexyl-1,2-dihydrophthalazine

C14H18N2 — CID 70001428

IUPAC(1S)-1-cyclohexyl-1,2-dihydrophthalazine
SMILESC1=NN[C@@H](C2CCCCC2)c2ccccc21
InChIInChI=1S/C14H18N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h4-5,8-11,14,16H,1-3,6-7H2/t14-/m0/s1
InChIKeyCJRAMJPBRMGDSI-AWEZNQCLSA-N
MW214.31 g/mol
LogP3.25
Rot. Bonds1

About (1S)-1-cyclohexyl-1,2-dihydrophthalazine

(1S)-1-cyclohexyl-1,2-dihydrophthalazine (PubChem CID 70001428) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-1,2-dihydrophthalazine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-1,2-dihydrophthalazine
PubChem CID70001428
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(1S)-1-cyclohexyl-1,2-dihydrophthalazine
SMILESC1=NN[C@@H](C2CCCCC2)c2ccccc21
InChIInChI=1S/C14H18N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h4-5,8-11,14,16H,1-3,6-7H2/t14-/m0/s1
InChIKeyCJRAMJPBRMGDSI-AWEZNQCLSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-1,2-dihydrophthalazine?
The IUPAC name of (1S)-1-cyclohexyl-1,2-dihydrophthalazine (CID 70001428) is (1S)-1-cyclohexyl-1,2-dihydrophthalazine.
What is the SMILES notation for (1S)-1-cyclohexyl-1,2-dihydrophthalazine?
The canonical SMILES for (1S)-1-cyclohexyl-1,2-dihydrophthalazine is C1=NN[C@@H](C2CCCCC2)c2ccccc21.
What is the InChIKey of (1S)-1-cyclohexyl-1,2-dihydrophthalazine?
The InChIKey is CJRAMJPBRMGDSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-16-14/h4-5,8-11,14,16H,1-3,6-7H2/t14-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-1,2-dihydrophthalazine?
(1S)-1-cyclohexyl-1,2-dihydrophthalazine has a molecular weight of 214.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-1,2-dihydrophthalazine is sourced from PubChem (CID 70001428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).