3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile

C13H22N2 — CID 66607042

IUPAC3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCN(C1CCCCC1)C1CCC(C#N)C1
InChIInChI=1S/C13H22N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h11-13H,2-9H2,1H3
InChIKeyQYUSUXSGAIIUPN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds2

About 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile

3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile (PubChem CID 66607042) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile
PubChem CID66607042
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCN(C1CCCCC1)C1CCC(C#N)C1
InChIInChI=1S/C13H22N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h11-13H,2-9H2,1H3
InChIKeyQYUSUXSGAIIUPN-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile (CID 66607042) is 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile is CN(C1CCCCC1)C1CCC(C#N)C1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is QYUSUXSGAIIUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-15(12-5-3-2-4-6-12)13-8-7-11(9-13)10-14/h11-13H,2-9H2,1H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile?
3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 66607042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).