4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile

C17H24N2 — CID 65088189

IUPAC4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2/c1-3-15-5-4-11-17(13-18,12-10-15)19-16-8-6-14(2)7-9-16/h6-9,15,19H,3-5,10-12H2,1-2H3
InChIKeyUGMNKRYHPROCIW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.66
Rot. Bonds3

About 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile

4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile (PubChem CID 65088189) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile
PubChem CID65088189
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile
SMILESCCC1CCCC(C#N)(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2/c1-3-15-5-4-11-17(13-18,12-10-15)19-16-8-6-14(2)7-9-16/h6-9,15,19H,3-5,10-12H2,1-2H3
InChIKeyUGMNKRYHPROCIW-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile (CID 65088189) is 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile is CCC1CCCC(C#N)(Nc2ccc(C)cc2)CC1.
What is the InChIKey of 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile?
The InChIKey is UGMNKRYHPROCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-15-5-4-11-17(13-18,12-10-15)19-16-8-6-14(2)7-9-16/h6-9,15,19H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile?
4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methylanilino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 65088189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).