3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride

C20H30Cl3N3O — CID 14298448

IUPAC3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2.Cl.Cl.Cl
InChIInChI=1S/C20H27N3O.3ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;/h9-14,21H,5-8H2,1-4H3;3*1H
InChIKeyHRKYQYMPFKJONM-UHFFFAOYSA-N
MW434.84 g/mol
LogP6.49
Rot. Bonds6

About 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride

3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride (PubChem CID 14298448) has the molecular formula C20H30Cl3N3O and a molecular weight of 434.84 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride
PubChem CID14298448
Molecular FormulaC20H30Cl3N3O
Molecular Weight434.84 g/mol
Exact Mass433.15
IUPAC Name3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2.Cl.Cl.Cl
InChIInChI=1S/C20H27N3O.3ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;/h9-14,21H,5-8H2,1-4H3;3*1H
InChIKeyHRKYQYMPFKJONM-UHFFFAOYSA-N
XLogP6.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride?
The IUPAC name of 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride (CID 14298448) is 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride is CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2.Cl.Cl.Cl.
What is the InChIKey of 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride?
The InChIKey is HRKYQYMPFKJONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.3ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;/h9-14,21H,5-8H2,1-4H3;3*1H.
What are the key properties of 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride?
3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride has a molecular weight of 434.84 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N-tetraethyl-10H-phenoxazine-3,7-diamine;trihydrochloride is sourced from PubChem (CID 14298448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).