2-butyl-N-(2-cyclohexylethyl)aniline

C18H29N — CID 18361040

IUPAC2-butyl-N-(2-cyclohexylethyl)aniline
SMILESCCCCc1ccccc1NCCC1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-11-17-12-7-8-13-18(17)19-15-14-16-9-5-4-6-10-16/h7-8,12-13,16,19H,2-6,9-11,14-15H2,1H3
InChIKeyKZDXOXOITXFAPR-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.41
Rot. Bonds7

About 2-butyl-N-(2-cyclohexylethyl)aniline

2-butyl-N-(2-cyclohexylethyl)aniline (PubChem CID 18361040) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-butyl-N-(2-cyclohexylethyl)aniline.

Molecular Properties

Compound Name2-butyl-N-(2-cyclohexylethyl)aniline
PubChem CID18361040
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-butyl-N-(2-cyclohexylethyl)aniline
SMILESCCCCc1ccccc1NCCC1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-11-17-12-7-8-13-18(17)19-15-14-16-9-5-4-6-10-16/h7-8,12-13,16,19H,2-6,9-11,14-15H2,1H3
InChIKeyKZDXOXOITXFAPR-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-cyclohexylethyl)aniline?
The IUPAC name of 2-butyl-N-(2-cyclohexylethyl)aniline (CID 18361040) is 2-butyl-N-(2-cyclohexylethyl)aniline.
What is the SMILES notation for 2-butyl-N-(2-cyclohexylethyl)aniline?
The canonical SMILES for 2-butyl-N-(2-cyclohexylethyl)aniline is CCCCc1ccccc1NCCC1CCCCC1.
What is the InChIKey of 2-butyl-N-(2-cyclohexylethyl)aniline?
The InChIKey is KZDXOXOITXFAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-11-17-12-7-8-13-18(17)19-15-14-16-9-5-4-6-10-16/h7-8,12-13,16,19H,2-6,9-11,14-15H2,1H3.
What are the key properties of 2-butyl-N-(2-cyclohexylethyl)aniline?
2-butyl-N-(2-cyclohexylethyl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-cyclohexylethyl)aniline is sourced from PubChem (CID 18361040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).