4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile

C16H23N3 — CID 43564181

IUPAC4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)Cc2ccncc2)C1
InChIInChI=1S/C16H23N3/c1-3-13-4-5-15(11-17)16(10-13)19(2)12-14-6-8-18-9-7-14/h6-9,13,15-16H,3-5,10,12H2,1-2H3
InChIKeyUIELXBLIOGQDLG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.23
Rot. Bonds4

About 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile

4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 43564181) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID43564181
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)Cc2ccncc2)C1
InChIInChI=1S/C16H23N3/c1-3-13-4-5-15(11-17)16(10-13)19(2)12-14-6-8-18-9-7-14/h6-9,13,15-16H,3-5,10,12H2,1-2H3
InChIKeyUIELXBLIOGQDLG-UHFFFAOYSA-N
XLogP3.23
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile (CID 43564181) is 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N(C)Cc2ccncc2)C1.
What is the InChIKey of 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is UIELXBLIOGQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-13-4-5-15(11-17)16(10-13)19(2)12-14-6-8-18-9-7-14/h6-9,13,15-16H,3-5,10,12H2,1-2H3.
What are the key properties of 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile?
4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43564181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).