2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C15H26N2O2 — CID 79578008

IUPAC2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCOC1CCOC1
InChIInChI=1S/C15H26N2O2/c1-2-8-17-15(12-16)7-3-4-13(15)5-10-19-14-6-9-18-11-14/h13-14,17H,2-11H2,1H3
InChIKeyJLLAEIBTQFMZPQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.24
Rot. Bonds7

About 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79578008) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79578008
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCOC1CCOC1
InChIInChI=1S/C15H26N2O2/c1-2-8-17-15(12-16)7-3-4-13(15)5-10-19-14-6-9-18-11-14/h13-14,17H,2-11H2,1H3
InChIKeyJLLAEIBTQFMZPQ-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 103727912
2-[2-[ethyl(2-methoxyethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79565477
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
[1-(methylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentyl]methanol
CID 79580990
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
3-propoxyoxolane
CID 14071397
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79578008) is 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCOC1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is JLLAEIBTQFMZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-8-17-15(12-16)7-3-4-13(15)5-10-19-14-6-9-18-11-14/h13-14,17H,2-11H2,1H3.
What are the key properties of 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 266.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-yloxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79578008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).