N-cyclohexyl-2,5-di(propan-2-yl)aniline

C18H29N — CID 170213032

IUPACN-cyclohexyl-2,5-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(C(C)C)c(NC2CCCCC2)c1
InChIInChI=1S/C18H29N/c1-13(2)15-10-11-17(14(3)4)18(12-15)19-16-8-6-5-7-9-16/h10-14,16,19H,5-9H2,1-4H3
InChIKeyMLFCYWGLLAVYKW-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.68
Rot. Bonds4

About N-cyclohexyl-2,5-di(propan-2-yl)aniline

N-cyclohexyl-2,5-di(propan-2-yl)aniline (PubChem CID 170213032) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-cyclohexyl-2,5-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2,5-di(propan-2-yl)aniline
PubChem CID170213032
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-cyclohexyl-2,5-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(C(C)C)c(NC2CCCCC2)c1
InChIInChI=1S/C18H29N/c1-13(2)15-10-11-17(14(3)4)18(12-15)19-16-8-6-5-7-9-16/h10-14,16,19H,5-9H2,1-4H3
InChIKeyMLFCYWGLLAVYKW-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-di(propan-2-yl)aniline?
The IUPAC name of N-cyclohexyl-2,5-di(propan-2-yl)aniline (CID 170213032) is N-cyclohexyl-2,5-di(propan-2-yl)aniline.
What is the SMILES notation for N-cyclohexyl-2,5-di(propan-2-yl)aniline?
The canonical SMILES for N-cyclohexyl-2,5-di(propan-2-yl)aniline is CC(C)c1ccc(C(C)C)c(NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2,5-di(propan-2-yl)aniline?
The InChIKey is MLFCYWGLLAVYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)15-10-11-17(14(3)4)18(12-15)19-16-8-6-5-7-9-16/h10-14,16,19H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-2,5-di(propan-2-yl)aniline?
N-cyclohexyl-2,5-di(propan-2-yl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-di(propan-2-yl)aniline is sourced from PubChem (CID 170213032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).