[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)

C17H22N3Rb — CID 59910529

IUPAC[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)
SMILESCc1ccc(NCC(C)(C)Nc2ccccc2[NH-])cc1.[Rb+]
InChIInChI=1S/C17H22N3.Rb/c1-13-8-10-14(11-9-13)19-12-17(2,3)20-16-7-5-4-6-15(16)18;/h4-11,18-20H,12H2,1-3H3;/q-1;+1
InChIKeyOJTFUGWHKSPXFH-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.99
Rot. Bonds5

About [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)

[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+) (PubChem CID 59910529) has the molecular formula C17H22N3Rb and a molecular weight of 353.85 g/mol. Its IUPAC name is [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+).

Molecular Properties

Compound Name[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)
PubChem CID59910529
Molecular FormulaC17H22N3Rb
Molecular Weight353.85 g/mol
Exact Mass353.09
IUPAC Name[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)
SMILESCc1ccc(NCC(C)(C)Nc2ccccc2[NH-])cc1.[Rb+]
InChIInChI=1S/C17H22N3.Rb/c1-13-8-10-14(11-9-13)19-12-17(2,3)20-16-7-5-4-6-15(16)18;/h4-11,18-20H,12H2,1-3H3;/q-1;+1
InChIKeyOJTFUGWHKSPXFH-UHFFFAOYSA-N
XLogP1.99
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)?
The IUPAC name of [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+) (CID 59910529) is [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+).
What is the SMILES notation for [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)?
The canonical SMILES for [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+) is Cc1ccc(NCC(C)(C)Nc2ccccc2[NH-])cc1.[Rb+].
What is the InChIKey of [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)?
The InChIKey is OJTFUGWHKSPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N3.Rb/c1-13-8-10-14(11-9-13)19-12-17(2,3)20-16-7-5-4-6-15(16)18;/h4-11,18-20H,12H2,1-3H3;/q-1;+1.
What are the key properties of [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+)?
[2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+) has a molecular weight of 353.85 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-methyl-1-(4-methylanilino)propan-2-yl]amino]phenyl]azanide;rubidium(1+) is sourced from PubChem (CID 59910529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).