2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile

C15H28N2O — CID 79578001

IUPAC2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCOC(C)CC
InChIInChI=1S/C15H28N2O/c1-4-10-17-15(12-16)9-6-7-14(15)8-11-18-13(3)5-2/h13-14,17H,4-11H2,1-3H3
InChIKeyZSLLNYUPXJRTSN-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.25
Rot. Bonds8

About 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile

2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79578001) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79578001
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCOC(C)CC
InChIInChI=1S/C15H28N2O/c1-4-10-17-15(12-16)9-6-7-14(15)8-11-18-13(3)5-2/h13-14,17H,4-11H2,1-3H3
InChIKeyZSLLNYUPXJRTSN-UHFFFAOYSA-N
XLogP3.25
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79578001) is 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCOC(C)CC.
What is the InChIKey of 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is ZSLLNYUPXJRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-10-17-15(12-16)9-6-7-14(15)8-11-18-13(3)5-2/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile?
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 252.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79578001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).