3-cyclohexyl-N-methylaniline

C13H19N — CID 116962420

IUPAC3-cyclohexyl-N-methylaniline
SMILESCNc1cccc(C2CCCCC2)c1
InChIInChI=1S/C13H19N/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyGLCPSYYOOQLZRR-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.78
Rot. Bonds2

About 3-cyclohexyl-N-methylaniline

3-cyclohexyl-N-methylaniline (PubChem CID 116962420) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-cyclohexyl-N-methylaniline.

Molecular Properties

Compound Name3-cyclohexyl-N-methylaniline
PubChem CID116962420
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-cyclohexyl-N-methylaniline
SMILESCNc1cccc(C2CCCCC2)c1
InChIInChI=1S/C13H19N/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3
InChIKeyGLCPSYYOOQLZRR-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methylaniline?
The IUPAC name of 3-cyclohexyl-N-methylaniline (CID 116962420) is 3-cyclohexyl-N-methylaniline.
What is the SMILES notation for 3-cyclohexyl-N-methylaniline?
The canonical SMILES for 3-cyclohexyl-N-methylaniline is CNc1cccc(C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-methylaniline?
The InChIKey is GLCPSYYOOQLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h5,8-11,14H,2-4,6-7H2,1H3.
What are the key properties of 3-cyclohexyl-N-methylaniline?
3-cyclohexyl-N-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methylaniline is sourced from PubChem (CID 116962420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).