4-(4-tert-butylcyclohexyl)aniline

C16H25N — CID 141087341

IUPAC4-(4-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h6-7,10-12,14H,4-5,8-9,17H2,1-3H3
InChIKeyRSTCLEWUOVLQAS-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.59
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)aniline

4-(4-tert-butylcyclohexyl)aniline (PubChem CID 141087341) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)aniline
PubChem CID141087341
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(4-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h6-7,10-12,14H,4-5,8-9,17H2,1-3H3
InChIKeyRSTCLEWUOVLQAS-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)aniline?
The IUPAC name of 4-(4-tert-butylcyclohexyl)aniline (CID 141087341) is 4-(4-tert-butylcyclohexyl)aniline.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)aniline?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)aniline is CC(C)(C)C1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)aniline?
The InChIKey is RSTCLEWUOVLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h6-7,10-12,14H,4-5,8-9,17H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)aniline?
4-(4-tert-butylcyclohexyl)aniline has a molecular weight of 231.38 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)aniline is sourced from PubChem (CID 141087341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).