3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline

C18H30N2O — CID 62583584

IUPAC3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
SMILESCCN(CC)c1cccc(OC(C)CNC2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)17-11-8-12-18(13-17)21-15(3)14-19-16-9-6-7-10-16/h8,11-13,15-16,19H,4-7,9-10,14H2,1-3H3
InChIKeyGHEXEBZHMMBAIP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.83
Rot. Bonds8

About 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline

3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline (PubChem CID 62583584) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline.

Molecular Properties

Compound Name3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
PubChem CID62583584
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
SMILESCCN(CC)c1cccc(OC(C)CNC2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-4-20(5-2)17-11-8-12-18(13-17)21-15(3)14-19-16-9-6-7-10-16/h8,11-13,15-16,19H,4-7,9-10,14H2,1-3H3
InChIKeyGHEXEBZHMMBAIP-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline?
The IUPAC name of 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline (CID 62583584) is 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline.
What is the SMILES notation for 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline?
The canonical SMILES for 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline is CCN(CC)c1cccc(OC(C)CNC2CCCC2)c1.
What is the InChIKey of 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline?
The InChIKey is GHEXEBZHMMBAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(5-2)17-11-8-12-18(13-17)21-15(3)14-19-16-9-6-7-10-16/h8,11-13,15-16,19H,4-7,9-10,14H2,1-3H3.
What are the key properties of 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline?
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline has a molecular weight of 290.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline is sourced from PubChem (CID 62583584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).