2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C16H30N2O — CID 79576809

IUPAC2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCCOCCC1CCCC1(C#N)NC(C)C
InChIInChI=1S/C16H30N2O/c1-4-5-6-11-19-12-9-15-8-7-10-16(15,13-17)18-14(2)3/h14-15,18H,4-12H2,1-3H3
InChIKeyUCBRDOBNPMIGQB-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.64
Rot. Bonds9

About 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79576809) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79576809
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCCOCCC1CCCC1(C#N)NC(C)C
InChIInChI=1S/C16H30N2O/c1-4-5-6-11-19-12-9-15-8-7-10-16(15,13-17)18-14(2)3/h14-15,18H,4-12H2,1-3H3
InChIKeyUCBRDOBNPMIGQB-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.64
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-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565740
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
2-[2-(2,2-difluoroethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82006574
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79573474

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79576809) is 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCCCCOCCC1CCCC1(C#N)NC(C)C.
What is the InChIKey of 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is UCBRDOBNPMIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-5-6-11-19-12-9-15-8-7-10-16(15,13-17)18-14(2)3/h14-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 266.43 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).