N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine

C22H28N2O — CID 21482821

IUPACN-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3c(C)cccc3Oc3cccc(C)c32)C1
InChIInChI=1S/C22H28N2O/c1-4-24-13-7-10-17(14-24)23-22-20-15(2)8-5-11-18(20)25-19-12-6-9-16(3)21(19)22/h5-6,8-9,11-12,17,22-23H,4,7,10,13-14H2,1-3H3
InChIKeySXBYNGXPJUNJOA-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.57
Rot. Bonds3

About N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine

N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine (PubChem CID 21482821) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
PubChem CID21482821
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3c(C)cccc3Oc3cccc(C)c32)C1
InChIInChI=1S/C22H28N2O/c1-4-24-13-7-10-17(14-24)23-22-20-15(2)8-5-11-18(20)25-19-12-6-9-16(3)21(19)22/h5-6,8-9,11-12,17,22-23H,4,7,10,13-14H2,1-3H3
InChIKeySXBYNGXPJUNJOA-UHFFFAOYSA-N
XLogP4.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
CID 21482838
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
1-[(1-ethylpiperidin-3-yl)amino]-9H-xanthen-2-ol
CID 21482867
N-(1-cyclopropylpyrrolidin-3-yl)-1-ethylpiperidin-3-amine
CID 62982857
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
CID 61171937
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309

Frequently Asked Questions

What is the IUPAC name of N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine (CID 21482821) is N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine is CCN1CCCC(NC2c3c(C)cccc3Oc3cccc(C)c32)C1.
What is the InChIKey of N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The InChIKey is SXBYNGXPJUNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-24-13-7-10-17(14-24)23-22-20-15(2)8-5-11-18(20)25-19-12-6-9-16(3)21(19)22/h5-6,8-9,11-12,17,22-23H,4,7,10,13-14H2,1-3H3.
What are the key properties of N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine has a molecular weight of 336.48 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 21482821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).