1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane

C16H32N4 — CID 67866856

IUPAC1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane
SMILESC1CCC2NC3CCCCC3NC2C1.C1CNCNC1
InChIInChI=1S/C12H22N2.C4H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-6-3-1/h9-14H,1-8H2;5-6H,1-4H2
InChIKeyGTCPBGGJZBKJFC-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.33
Rot. Bonds

About 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane

1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane (PubChem CID 67866856) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane
PubChem CID67866856
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane
SMILESC1CCC2NC3CCCCC3NC2C1.C1CNCNC1
InChIInChI=1S/C12H22N2.C4H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-6-3-1/h9-14H,1-8H2;5-6H,1-4H2
InChIKeyGTCPBGGJZBKJFC-UHFFFAOYSA-N
XLogP1.33
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane?
The IUPAC name of 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane (CID 67866856) is 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane?
The canonical SMILES for 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane is C1CCC2NC3CCCCC3NC2C1.C1CNCNC1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane?
The InChIKey is GTCPBGGJZBKJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C4H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-5-4-6-3-1/h9-14H,1-8H2;5-6H,1-4H2.
What are the key properties of 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane?
1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane has a molecular weight of 280.46 g/mol, XLogP of 1.33, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane is sourced from PubChem (CID 67866856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).