1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile

C13H22N2O — CID 79572377

IUPAC1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOC1CCCC1
InChIInChI=1S/C13H22N2O/c14-10-13(15)8-3-4-11(13)7-9-16-12-5-1-2-6-12/h11-12H,1-9,15H2
InChIKeyYPALHTDTHYFCDV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds4

About 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile

1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile (PubChem CID 79572377) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
PubChem CID79572377
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOC1CCCC1
InChIInChI=1S/C13H22N2O/c14-10-13(15)8-3-4-11(13)7-9-16-12-5-1-2-6-12/h11-12H,1-9,15H2
InChIKeyYPALHTDTHYFCDV-UHFFFAOYSA-N
XLogP2.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile (CID 79572377) is 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCOC1CCCC1.
What is the InChIKey of 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile?
The InChIKey is YPALHTDTHYFCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-10-13(15)8-3-4-11(13)7-9-16-12-5-1-2-6-12/h11-12H,1-9,15H2.
What are the key properties of 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile?
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).