3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline

C15H21N — CID 156557152

IUPAC3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline
SMILESCNc1cccc(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)9-7-12(8-10-15)13-5-4-6-14(11-13)16-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyFAPDOGHHQMYXQH-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.32
Rot. Bonds2

About 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline

3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline (PubChem CID 156557152) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline
PubChem CID156557152
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline
SMILESCNc1cccc(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C15H21N/c1-15(2)9-7-12(8-10-15)13-5-4-6-14(11-13)16-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyFAPDOGHHQMYXQH-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline?
The IUPAC name of 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline (CID 156557152) is 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline.
What is the SMILES notation for 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline?
The canonical SMILES for 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline is CNc1cccc(C2=CCC(C)(C)CC2)c1.
What is the InChIKey of 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline?
The InChIKey is FAPDOGHHQMYXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2)9-7-12(8-10-15)13-5-4-6-14(11-13)16-3/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline?
3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline has a molecular weight of 215.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexen-1-yl)-N-methylaniline is sourced from PubChem (CID 156557152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).