1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine

C19H22N2O — CID 21482885

IUPAC1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C19H22N2O/c1-2-21-12-11-14(13-21)20-19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19/h3-10,14,19-20H,2,11-13H2,1H3
InChIKeyUHGRSEYGFJKFJS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.57
Rot. Bonds3

About 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine

1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine (PubChem CID 21482885) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
PubChem CID21482885
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
SMILESCCN1CCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C19H22N2O/c1-2-21-12-11-14(13-21)20-19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19/h3-10,14,19-20H,2,11-13H2,1H3
InChIKeyUHGRSEYGFJKFJS-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The IUPAC name of 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine (CID 21482885) is 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine is CCN1CCC(NC2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The InChIKey is UHGRSEYGFJKFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-21-12-11-14(13-21)20-19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19/h3-10,14,19-20H,2,11-13H2,1H3.
What are the key properties of 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine?
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine has a molecular weight of 294.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine is sourced from PubChem (CID 21482885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).