5-[(1-aminocyclopentyl)methoxy]pentanenitrile

C11H20N2O — CID 64572441

IUPAC5-[(1-aminocyclopentyl)methoxy]pentanenitrile
SMILESN#CCCCCOCC1(N)CCCC1
InChIInChI=1S/C11H20N2O/c12-8-4-1-5-9-14-10-11(13)6-2-3-7-11/h1-7,9-10,13H2
InChIKeyPUKZWTZPWUIIJD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.97
Rot. Bonds6

About 5-[(1-aminocyclopentyl)methoxy]pentanenitrile

5-[(1-aminocyclopentyl)methoxy]pentanenitrile (PubChem CID 64572441) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[(1-aminocyclopentyl)methoxy]pentanenitrile.

Molecular Properties

Compound Name5-[(1-aminocyclopentyl)methoxy]pentanenitrile
PubChem CID64572441
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[(1-aminocyclopentyl)methoxy]pentanenitrile
SMILESN#CCCCCOCC1(N)CCCC1
InChIInChI=1S/C11H20N2O/c12-8-4-1-5-9-14-10-11(13)6-2-3-7-11/h1-7,9-10,13H2
InChIKeyPUKZWTZPWUIIJD-UHFFFAOYSA-N
XLogP1.97
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopentyl)methoxy]pentanenitrile?
The IUPAC name of 5-[(1-aminocyclopentyl)methoxy]pentanenitrile (CID 64572441) is 5-[(1-aminocyclopentyl)methoxy]pentanenitrile.
What is the SMILES notation for 5-[(1-aminocyclopentyl)methoxy]pentanenitrile?
The canonical SMILES for 5-[(1-aminocyclopentyl)methoxy]pentanenitrile is N#CCCCCOCC1(N)CCCC1.
What is the InChIKey of 5-[(1-aminocyclopentyl)methoxy]pentanenitrile?
The InChIKey is PUKZWTZPWUIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-8-4-1-5-9-14-10-11(13)6-2-3-7-11/h1-7,9-10,13H2.
What are the key properties of 5-[(1-aminocyclopentyl)methoxy]pentanenitrile?
5-[(1-aminocyclopentyl)methoxy]pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopentyl)methoxy]pentanenitrile is sourced from PubChem (CID 64572441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).