(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine

C12H18N2 — CID 102349835

IUPAC(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
SMILESC1=C2N[C@H]3CCCC[C@@H]3N=C2CCC1
InChIInChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,11-13H,1-4,6-8H2/t11-,12-/m0/s1
InChIKeyDHECBFMIDDGLEY-RYUDHWBXSA-N
MW190.29 g/mol
LogP2.41
Rot. Bonds

About (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine

(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine (PubChem CID 102349835) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine.

Molecular Properties

Compound Name(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
PubChem CID102349835
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
SMILESC1=C2N[C@H]3CCCC[C@@H]3N=C2CCC1
InChIInChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,11-13H,1-4,6-8H2/t11-,12-/m0/s1
InChIKeyDHECBFMIDDGLEY-RYUDHWBXSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,5a,6,7,8-Decahydrophenazine
CID 53438523
1,2,3,5,6,7-Hexahydroquinoxaline
CID 11564482
1,2,3,4,4a,5,5a,6-Octahydrophenazine
CID 22222215
(5aR,9aR)-2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 102439079
N-butyl-6-butyliminocyclohexen-1-amine
CID 349555
(4aR,11aR)-2,3,4,4a,11,11a-hexahydro-1H-cyclohepta[b]quinoxaline
CID 10867349
(4aR,10aR)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 11513902
(4aR,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 11694052
2,4-dimethyl-5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine
CID 12462159
N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine
CID 86226128
3-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline
CID 102080399
(4aS,10aR)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine
CID 131097146

Frequently Asked Questions

What is the IUPAC name of (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine?
The IUPAC name of (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine (CID 102349835) is (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine.
What is the SMILES notation for (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine?
The canonical SMILES for (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine is C1=C2N[C@H]3CCCC[C@@H]3N=C2CCC1.
What is the InChIKey of (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine?
The InChIKey is DHECBFMIDDGLEY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,11-13H,1-4,6-8H2/t11-,12-/m0/s1.
What are the key properties of (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine?
(4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine has a molecular weight of 190.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aS)-1,2,3,4,4a,5,7,8,9,10a-decahydrophenazine is sourced from PubChem (CID 102349835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).