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

C13H16N2 — CID 66606316

IUPAC3-(N-methylanilino)cyclopentane-1-carbonitrile
SMILESCN(c1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C13H16N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h2-6,11,13H,7-9H2,1H3
InChIKeyIDYUEYXRAJAKBX-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.82
Rot. Bonds2

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

3-(N-methylanilino)cyclopentane-1-carbonitrile (PubChem CID 66606316) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-(N-methylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(N-methylanilino)cyclopentane-1-carbonitrile
PubChem CID66606316
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3-(N-methylanilino)cyclopentane-1-carbonitrile
SMILESCN(c1ccccc1)C1CCC(C#N)C1
InChIInChI=1S/C13H16N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h2-6,11,13H,7-9H2,1H3
InChIKeyIDYUEYXRAJAKBX-UHFFFAOYSA-N
XLogP2.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(N-methylanilino)cyclopentane-1-carbonitrile (CID 66606316) is 3-(N-methylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(N-methylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(N-methylanilino)cyclopentane-1-carbonitrile is CN(c1ccccc1)C1CCC(C#N)C1.
What is the InChIKey of 3-(N-methylanilino)cyclopentane-1-carbonitrile?
The InChIKey is IDYUEYXRAJAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 3-(N-methylanilino)cyclopentane-1-carbonitrile?
3-(N-methylanilino)cyclopentane-1-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66606316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).