4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile

C15H28N2 — CID 43572083

IUPAC4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCCCC(C)N(C)C1CC(CC)CCC1C#N
InChIInChI=1S/C15H28N2/c1-5-7-12(3)17(4)15-10-13(6-2)8-9-14(15)11-16/h12-15H,5-10H2,1-4H3
InChIKeyZNDWYRLIKRLFTL-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.83
Rot. Bonds5

About 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile

4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 43572083) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID43572083
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCCCC(C)N(C)C1CC(CC)CCC1C#N
InChIInChI=1S/C15H28N2/c1-5-7-12(3)17(4)15-10-13(6-2)8-9-14(15)11-16/h12-15H,5-10H2,1-4H3
InChIKeyZNDWYRLIKRLFTL-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile (CID 43572083) is 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile is CCCC(C)N(C)C1CC(CC)CCC1C#N.
What is the InChIKey of 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is ZNDWYRLIKRLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-7-12(3)17(4)15-10-13(6-2)8-9-14(15)11-16/h12-15H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile?
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 236.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43572083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).