(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C15H28N2O3 — CID 114780403

IUPAC(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1CCCC(C(=O)N2CC(CO)OC(C)(C)C2)C1N
InChIInChI=1S/C15H28N2O3/c1-10-5-4-6-12(13(10)16)14(19)17-7-11(8-18)20-15(2,3)9-17/h10-13,18H,4-9,16H2,1-3H3
InChIKeyBUBJXHSDYBHKFP-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.75
Rot. Bonds2

About (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114780403) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114780403
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1CCCC(C(=O)N2CC(CO)OC(C)(C)C2)C1N
InChIInChI=1S/C15H28N2O3/c1-10-5-4-6-12(13(10)16)14(19)17-7-11(8-18)20-15(2,3)9-17/h10-13,18H,4-9,16H2,1-3H3
InChIKeyBUBJXHSDYBHKFP-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3-aminocyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776790
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methylpiperidin-2-yl)methanone
CID 114777052
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyloxolan-2-yl)methanone
CID 114778389
[(1S,2S)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124510962
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
[(1R,2R)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124778662
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylcyclopropyl)methanone
CID 114778312
(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
CID 62777723
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114780403) is (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1CCCC(C(=O)N2CC(CO)OC(C)(C)C2)C1N.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is BUBJXHSDYBHKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-5-4-6-12(13(10)16)14(19)17-7-11(8-18)20-15(2,3)9-17/h10-13,18H,4-9,16H2,1-3H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).