9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

C14H20N2 — CID 84622503

IUPAC9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCc1cccc2c1N(C)C1CCCCC1N2
InChIInChI=1S/C14H20N2/c1-10-6-5-8-12-14(10)16(2)13-9-4-3-7-11(13)15-12/h5-6,8,11,13,15H,3-4,7,9H2,1-2H3
InChIKeyRWTHKYPMQONWJO-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.17
Rot. Bonds

About 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (PubChem CID 84622503) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.

Molecular Properties

Compound Name9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
PubChem CID84622503
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCc1cccc2c1N(C)C1CCCCC1N2
InChIInChI=1S/C14H20N2/c1-10-6-5-8-12-14(10)16(2)13-9-4-3-7-11(13)15-12/h5-6,8,11,13,15H,3-4,7,9H2,1-2H3
InChIKeyRWTHKYPMQONWJO-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The IUPAC name of 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (CID 84622503) is 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.
What is the SMILES notation for 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The canonical SMILES for 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is Cc1cccc2c1N(C)C1CCCCC1N2.
What is the InChIKey of 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The InChIKey is RWTHKYPMQONWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-6-5-8-12-14(10)16(2)13-9-4-3-7-11(13)15-12/h5-6,8,11,13,15H,3-4,7,9H2,1-2H3.
What are the key properties of 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine has a molecular weight of 216.33 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is sourced from PubChem (CID 84622503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).