N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline

C20H34N2O5 — CID 101213947

IUPACN,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
SMILESCN(C)c1ccccc1N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C20H34N2O5/c1-21(2)19-5-3-4-6-20(19)22-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22/h3-6H,7-18H2,1-2H3
InChIKeySARJLWMTIJNMSO-UHFFFAOYSA-N
MW382.50 g/mol
LogP1.66
Rot. Bonds2

About N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline

N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline (PubChem CID 101213947) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
PubChem CID101213947
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC NameN,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
SMILESCN(C)c1ccccc1N1CCOCCOCCOCCOCCOCC1
InChIInChI=1S/C20H34N2O5/c1-21(2)19-5-3-4-6-20(19)22-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22/h3-6H,7-18H2,1-2H3
InChIKeySARJLWMTIJNMSO-UHFFFAOYSA-N
XLogP1.66
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
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2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
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N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
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CID 58063137

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline (CID 101213947) is N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline is CN(C)c1ccccc1N1CCOCCOCCOCCOCCOCC1.
What is the InChIKey of N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline?
The InChIKey is SARJLWMTIJNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-21(2)19-5-3-4-6-20(19)22-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22/h3-6H,7-18H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline?
N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline has a molecular weight of 382.50 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline is sourced from PubChem (CID 101213947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).