2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C15H26N2O — CID 79576565

IUPAC2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOCC1CCCC1
InChIInChI=1S/C15H26N2O/c1-17-15(12-16)9-4-7-14(15)8-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3
InChIKeyQFXMLFMUURFWPB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79576565) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79576565
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCOCC1CCCC1
InChIInChI=1S/C15H26N2O/c1-17-15(12-16)9-4-7-14(15)8-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3
InChIKeyQFXMLFMUURFWPB-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.87
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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Related Compounds

2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
1-(methylamino)-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576909
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
1-(methylamino)-2-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79576507
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79566331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79576565) is 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCOCC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is QFXMLFMUURFWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-15(12-16)9-4-7-14(15)8-10-18-11-13-5-2-3-6-13/h13-14,17H,2-11H2,1H3.
What are the key properties of 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).