4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine

C17H34N2O — CID 62615932

IUPAC4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN1CCOCC1C
InChIInChI=1S/C17H34N2O/c1-13-12-20-9-8-19(13)11-14-10-15(17(2,3)4)6-7-16(14)18-5/h13-16,18H,6-12H2,1-5H3
InChIKeyXPZHVZONOZGJCA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds3

About 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine

4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62615932) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine
PubChem CID62615932
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1CN1CCOCC1C
InChIInChI=1S/C17H34N2O/c1-13-12-20-9-8-19(13)11-14-10-15(17(2,3)4)6-7-16(14)18-5/h13-16,18H,6-12H2,1-5H3
InChIKeyXPZHVZONOZGJCA-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine (CID 62615932) is 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1CN1CCOCC1C.
What is the InChIKey of 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is XPZHVZONOZGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-12-20-9-8-19(13)11-14-10-15(17(2,3)4)6-7-16(14)18-5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).