dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium

C19H23N2O+ — CID 157263184

IUPACdimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium
SMILESCCCN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C19H23N2O/c1-5-10-21(4)17-9-7-15-11-14-6-8-16(20(2)3)12-18(14)22-19(15)13-17/h6-9,11-13H,5,10H2,1-4H3/q+1
InChIKeySYVOUVFYHXCEQP-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.42
Rot. Bonds3

About dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium

dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium (PubChem CID 157263184) has the molecular formula C19H23N2O+ and a molecular weight of 295.41 g/mol. Its IUPAC name is dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium
PubChem CID157263184
Molecular FormulaC19H23N2O+
Molecular Weight295.41 g/mol
Exact Mass295.18
IUPAC Namedimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium
SMILESCCCN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
InChIInChI=1S/C19H23N2O/c1-5-10-21(4)17-9-7-15-11-14-6-8-16(20(2)3)12-18(14)22-19(15)13-17/h6-9,11-13H,5,10H2,1-4H3/q+1
InChIKeySYVOUVFYHXCEQP-UHFFFAOYSA-N
XLogP3.42
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium?
The IUPAC name of dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium (CID 157263184) is dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium.
What is the SMILES notation for dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium?
The canonical SMILES for dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium is CCCN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1.
What is the InChIKey of dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium?
The InChIKey is SYVOUVFYHXCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O/c1-5-10-21(4)17-9-7-15-11-14-6-8-16(20(2)3)12-18(14)22-19(15)13-17/h6-9,11-13H,5,10H2,1-4H3/q+1.
What are the key properties of dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium?
dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium has a molecular weight of 295.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium is sourced from PubChem (CID 157263184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).