2-tert-butyl-N-cyclohexylcyclohexan-1-amine

C16H31N — CID 43079184

IUPAC2-tert-butyl-N-cyclohexylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NC1CCCCC1
InChIInChI=1S/C16H31N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h13-15,17H,4-12H2,1-3H3
InChIKeyHJQOBIXGEVVBTG-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds2

About 2-tert-butyl-N-cyclohexylcyclohexan-1-amine

2-tert-butyl-N-cyclohexylcyclohexan-1-amine (PubChem CID 43079184) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexylcyclohexan-1-amine
PubChem CID43079184
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-tert-butyl-N-cyclohexylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NC1CCCCC1
InChIInChI=1S/C16H31N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h13-15,17H,4-12H2,1-3H3
InChIKeyHJQOBIXGEVVBTG-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-cyclohexylcyclohexan-1-amine (CID 43079184) is 2-tert-butyl-N-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-cyclohexylcyclohexan-1-amine is CC(C)(C)C1CCCCC1NC1CCCCC1.
What is the InChIKey of 2-tert-butyl-N-cyclohexylcyclohexan-1-amine?
The InChIKey is HJQOBIXGEVVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-16(2,3)14-11-7-8-12-15(14)17-13-9-5-4-6-10-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-tert-butyl-N-cyclohexylcyclohexan-1-amine?
2-tert-butyl-N-cyclohexylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 43079184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).