2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone

C18H34N2O2 — CID 124864732

IUPAC2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C18H34N2O2/c1-13-11-20(12-14(2)22-13)17(21)10-19-16-9-7-6-8-15(16)18(3,4)5/h13-16,19H,6-12H2,1-5H3/t13-,14+,15-,16-/m1/s1
InChIKeyTUOFNVTVMPMLJT-QKPAOTATSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds3

About 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone

2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 124864732) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID124864732
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C18H34N2O2/c1-13-11-20(12-14(2)22-13)17(21)10-19-16-9-7-6-8-15(16)18(3,4)5/h13-16,19H,6-12H2,1-5H3/t13-,14+,15-,16-/m1/s1
InChIKeyTUOFNVTVMPMLJT-QKPAOTATSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 124864731
2-[(2-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214582
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one
CID 96529381

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone (CID 124864732) is 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)CN[C@@H]2CCCC[C@H]2C(C)(C)C)C[C@H](C)O1.
What is the InChIKey of 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is TUOFNVTVMPMLJT-QKPAOTATSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13-11-20(12-14(2)22-13)17(21)10-19-16-9-7-6-8-15(16)18(3,4)5/h13-16,19H,6-12H2,1-5H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 310.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 124864732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).