N-pentan-2-yl-9H-xanthen-9-amine

C18H21NO — CID 43344204

IUPACN-pentan-2-yl-9H-xanthen-9-amine
SMILESCCCC(C)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H21NO/c1-3-8-13(2)19-18-14-9-4-6-11-16(14)20-17-12-7-5-10-15(17)18/h4-7,9-13,18-19H,3,8H2,1-2H3
InChIKeyGMDBDWPEMKJXMN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.66
Rot. Bonds4

About N-pentan-2-yl-9H-xanthen-9-amine

N-pentan-2-yl-9H-xanthen-9-amine (PubChem CID 43344204) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-pentan-2-yl-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-pentan-2-yl-9H-xanthen-9-amine
PubChem CID43344204
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-pentan-2-yl-9H-xanthen-9-amine
SMILESCCCC(C)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H21NO/c1-3-8-13(2)19-18-14-9-4-6-11-16(14)20-17-12-7-5-10-15(17)18/h4-7,9-13,18-19H,3,8H2,1-2H3
InChIKeyGMDBDWPEMKJXMN-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-9H-xanthen-9-amine?
The IUPAC name of N-pentan-2-yl-9H-xanthen-9-amine (CID 43344204) is N-pentan-2-yl-9H-xanthen-9-amine.
What is the SMILES notation for N-pentan-2-yl-9H-xanthen-9-amine?
The canonical SMILES for N-pentan-2-yl-9H-xanthen-9-amine is CCCC(C)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-pentan-2-yl-9H-xanthen-9-amine?
The InChIKey is GMDBDWPEMKJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-8-13(2)19-18-14-9-4-6-11-16(14)20-17-12-7-5-10-15(17)18/h4-7,9-13,18-19H,3,8H2,1-2H3.
What are the key properties of N-pentan-2-yl-9H-xanthen-9-amine?
N-pentan-2-yl-9H-xanthen-9-amine has a molecular weight of 267.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-9H-xanthen-9-amine is sourced from PubChem (CID 43344204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).