3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile

C15H20N2 — CID 66607984

IUPAC3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(Cc1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C15H20N2/c1-2-17(12-13-6-4-3-5-7-13)15-9-8-14(10-15)11-16/h3-7,14-15H,2,8-10,12H2,1H3
InChIKeyIJXNVJFQMCMBAJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.20
Rot. Bonds4

About 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile

3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 66607984) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
PubChem CID66607984
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(Cc1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C15H20N2/c1-2-17(12-13-6-4-3-5-7-13)15-9-8-14(10-15)11-16/h3-7,14-15H,2,8-10,12H2,1H3
InChIKeyIJXNVJFQMCMBAJ-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile (CID 66607984) is 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile is CCN(Cc1ccccc1)C1CCC(C#N)C1.
What is the InChIKey of 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is IJXNVJFQMCMBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-17(12-13-6-4-3-5-7-13)15-9-8-14(10-15)11-16/h3-7,14-15H,2,8-10,12H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile?
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 66607984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).