6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine

C17H34N2O — CID 104958323

IUPAC6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(N2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-18-16-15(8-7-9-17(16,4)5)19-11-13(2)20-14(3)12-19/h13-16,18H,6-12H2,1-5H3/t13-,14+,15?,16?
InChIKeyZAEZJTKPESZKGD-PJPHBNEVSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds4

About 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 104958323) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID104958323
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(N2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-18-16-15(8-7-9-17(16,4)5)19-11-13(2)20-14(3)12-19/h13-16,18H,6-12H2,1-5H3/t13-,14+,15?,16?
InChIKeyZAEZJTKPESZKGD-PJPHBNEVSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 104958323) is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(N2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C.
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is ZAEZJTKPESZKGD-PJPHBNEVSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-10-18-16-15(8-7-9-17(16,4)5)19-11-13(2)20-14(3)12-19/h13-16,18H,6-12H2,1-5H3/t13-,14+,15?,16?.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 104958323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).