4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine

C20H39N — CID 14381169

IUPAC4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h15-18,21H,7-14H2,1-6H3
InChIKeyURPHRDJXSQLBRR-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds2

About 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine

4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine (PubChem CID 14381169) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine
PubChem CID14381169
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h15-18,21H,7-14H2,1-6H3
InChIKeyURPHRDJXSQLBRR-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine (CID 14381169) is 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine is CC(C)(C)C1CCC(NC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine?
The InChIKey is URPHRDJXSQLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h15-18,21H,7-14H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine?
4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 14381169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).