1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine

C24H35N3O — CID 86626952

IUPAC1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine
SMILESCCCCN(CCCC)c1cccc2c1Nc1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C24H35N3O/c1-5-9-16-27(17-10-6-2)21-12-11-13-22-24(21)25-20-15-14-19(18-23(20)28-22)26(7-3)8-4/h11-15,18,25H,5-10,16-17H2,1-4H3
InChIKeyLLVMMSZEBKRTBT-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.79
Rot. Bonds10

About 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine

1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine (PubChem CID 86626952) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine
PubChem CID86626952
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine
SMILESCCCCN(CCCC)c1cccc2c1Nc1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C24H35N3O/c1-5-9-16-27(17-10-6-2)21-12-11-13-22-24(21)25-20-15-14-19(18-23(20)28-22)26(7-3)8-4/h11-15,18,25H,5-10,16-17H2,1-4H3
InChIKeyLLVMMSZEBKRTBT-UHFFFAOYSA-N
XLogP6.79
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine?
The IUPAC name of 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine (CID 86626952) is 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine is CCCCN(CCCC)c1cccc2c1Nc1ccc(N(CC)CC)cc1O2.
What is the InChIKey of 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine?
The InChIKey is LLVMMSZEBKRTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-5-9-16-27(17-10-6-2)21-12-11-13-22-24(21)25-20-15-14-19(18-23(20)28-22)26(7-3)8-4/h11-15,18,25H,5-10,16-17H2,1-4H3.
What are the key properties of 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine?
1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine has a molecular weight of 381.56 g/mol, XLogP of 6.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-7-N,7-N-diethyl-10H-phenoxazine-1,7-diamine is sourced from PubChem (CID 86626952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).