(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone

C19H31NO2 — CID 6467638

IUPAC(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)O1
InChIInChI=1S/C19H31NO2/c1-13-8-20(9-14(2)22-13)16(21)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15H,5-12H2,1-4H3
InChIKeyOVLKUSWBFCKOFN-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.62
Rot. Bonds1

About (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone

(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 6467638) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID6467638
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)O1
InChIInChI=1S/C19H31NO2/c1-13-8-20(9-14(2)22-13)16(21)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15H,5-12H2,1-4H3
InChIKeyOVLKUSWBFCKOFN-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,5R)-3,5-dimethyl-1-adamantyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 98211204
(3,5-dimethyl-1-adamantyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564263
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79423039
(3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-1-yl)methanone chloride
CID 53351415
(4-bromopiperidin-1-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80655445
(3,5-dimethyl-1-adamantyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6468261
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
CID 112793031
[(3R,5R)-3,5-dimethyl-1-adamantyl]-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 98262293
(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644766
1-(azepan-1-yl)-2-[4-(3,5-dimethyladamantane-1-carbonyl)piperazin-1-yl]ethanone
CID 112799001
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 6467638) is (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC(C)O1.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is OVLKUSWBFCKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13-8-20(9-14(2)22-13)16(21)19-7-15-5-17(3,11-19)10-18(4,6-15)12-19/h13-15H,5-12H2,1-4H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 305.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 6467638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).