N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine

C18H22N2O — CID 62636226

IUPACN'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine
SMILESCCN(C)CCNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H22N2O/c1-3-20(2)13-12-19-18-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)18/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyVDKBCKSXZQBIMN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds5

About N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine (PubChem CID 62636226) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine
PubChem CID62636226
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine
SMILESCCN(C)CCNC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H22N2O/c1-3-20(2)13-12-19-18-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)18/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyVDKBCKSXZQBIMN-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine (CID 62636226) is N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine is CCN(C)CCNC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine?
The InChIKey is VDKBCKSXZQBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(2)13-12-19-18-14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)18/h4-11,18-19H,3,12-13H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(9H-xanthen-9-yl)ethane-1,2-diamine is sourced from PubChem (CID 62636226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).