N-cyclohexyl-N-ethyl-3-methylaniline

C15H23N — CID 21396772

IUPACN-cyclohexyl-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C15H23N/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyQVRUQFLDBILLAP-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.15
Rot. Bonds3

About N-cyclohexyl-N-ethyl-3-methylaniline

N-cyclohexyl-N-ethyl-3-methylaniline (PubChem CID 21396772) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-methylaniline
PubChem CID21396772
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-cyclohexyl-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C15H23N/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyQVRUQFLDBILLAP-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-methylaniline?
The IUPAC name of N-cyclohexyl-N-ethyl-3-methylaniline (CID 21396772) is N-cyclohexyl-N-ethyl-3-methylaniline.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-methylaniline?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-methylaniline is CCN(c1cccc(C)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-methylaniline?
The InChIKey is QVRUQFLDBILLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-methylaniline?
N-cyclohexyl-N-ethyl-3-methylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-methylaniline is sourced from PubChem (CID 21396772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).