3-(N-ethylanilino)cyclopentane-1-carbonitrile

C14H18N2 — CID 66606941

IUPAC3-(N-ethylanilino)cyclopentane-1-carbonitrile
SMILESCCN(c1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C14H18N2/c1-2-16(13-6-4-3-5-7-13)14-9-8-12(10-14)11-15/h3-7,12,14H,2,8-10H2,1H3
InChIKeyJOOVAZNNBSJVAI-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.21
Rot. Bonds3

About 3-(N-ethylanilino)cyclopentane-1-carbonitrile

3-(N-ethylanilino)cyclopentane-1-carbonitrile (PubChem CID 66606941) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(N-ethylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(N-ethylanilino)cyclopentane-1-carbonitrile
PubChem CID66606941
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(N-ethylanilino)cyclopentane-1-carbonitrile
SMILESCCN(c1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C14H18N2/c1-2-16(13-6-4-3-5-7-13)14-9-8-12(10-14)11-15/h3-7,12,14H,2,8-10H2,1H3
InChIKeyJOOVAZNNBSJVAI-UHFFFAOYSA-N
XLogP3.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)cyclopentane-1-carbonitrile
CID 66606316
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984
3-(diethylamino)cyclopentane-1-carbonitrile
CID 66607026
3-[ethyl(trimethylsilyl)amino]cyclopentane-1-carbonitrile
CID 66606311
4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
CID 64740574
N-ethyl-N-phenylazepan-4-amine
CID 112690283
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
CID 79467781
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
3-(anilinomethyl)-N-cyclopropyl-N-ethylaniline
CID 59542647

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(N-ethylanilino)cyclopentane-1-carbonitrile (CID 66606941) is 3-(N-ethylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(N-ethylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(N-ethylanilino)cyclopentane-1-carbonitrile is CCN(c1ccccc1)C1CCC(C#N)C1.
What is the InChIKey of 3-(N-ethylanilino)cyclopentane-1-carbonitrile?
The InChIKey is JOOVAZNNBSJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-16(13-6-4-3-5-7-13)14-9-8-12(10-14)11-15/h3-7,12,14H,2,8-10H2,1H3.
What are the key properties of 3-(N-ethylanilino)cyclopentane-1-carbonitrile?
3-(N-ethylanilino)cyclopentane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66606941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).