(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C15H28N2O2 — CID 62780960

IUPAC(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCC(C)C(N)C2)CC(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-10-5-6-12(7-13(10)16)14(18)17-8-11(2)19-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3
InChIKeyCOOVLVKOSGQUSI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds1

About (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 62780960) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID62780960
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCC(C)C(N)C2)CC(C)(C)O1
InChIInChI=1S/C15H28N2O2/c1-10-5-6-12(7-13(10)16)14(18)17-8-11(2)19-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3
InChIKeyCOOVLVKOSGQUSI-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 62780960) is (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCC(C)C(N)C2)CC(C)(C)O1.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is COOVLVKOSGQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10-5-6-12(7-13(10)16)14(18)17-8-11(2)19-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62780960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).