N-(2-tert-butylcyclohexyl)aniline

C16H25N — CID 43100698

IUPACN-(2-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCCCC1Nc1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3
InChIKeyNDBXJOIZNNNALU-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.70
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)aniline

N-(2-tert-butylcyclohexyl)aniline (PubChem CID 43100698) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)aniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)aniline
PubChem CID43100698
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2-tert-butylcyclohexyl)aniline
SMILESCC(C)(C)C1CCCCC1Nc1ccccc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3
InChIKeyNDBXJOIZNNNALU-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)aniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)aniline (CID 43100698) is N-(2-tert-butylcyclohexyl)aniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)aniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)aniline is CC(C)(C)C1CCCCC1Nc1ccccc1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)aniline?
The InChIKey is NDBXJOIZNNNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h4-6,9-10,14-15,17H,7-8,11-12H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)aniline?
N-(2-tert-butylcyclohexyl)aniline has a molecular weight of 231.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)aniline is sourced from PubChem (CID 43100698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).