4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine

C18H36N2O — CID 62616806

IUPAC4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN1CCOC(C)(C)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-7-8-16(19-6)14(11-15)12-20-9-10-21-18(4,5)13-20/h14-16,19H,7-13H2,1-6H3
InChIKeyCRVKFMVHOUYTKZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds3

About 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 62616806) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID62616806
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN1CCOC(C)(C)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)15-7-8-16(19-6)14(11-15)12-20-9-10-21-18(4,5)13-20/h14-16,19H,7-13H2,1-6H3
InChIKeyCRVKFMVHOUYTKZ-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine (CID 62616806) is 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1CN1CCOC(C)(C)C1.
What is the InChIKey of 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is CRVKFMVHOUYTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)15-7-8-16(19-6)14(11-15)12-20-9-10-21-18(4,5)13-20/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62616806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).