1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride

C16H26ClNO2 — CID 2836036

IUPAC1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO2.ClH/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16;/h12-14H,1-11H2;1H
InChIKeyZMHHUCPZBOCQRJ-UHFFFAOYSA-N
MW299.84 g/mol
LogP2.53
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride

1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride (PubChem CID 2836036) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride
PubChem CID2836036
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO2.ClH/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16;/h12-14H,1-11H2;1H
InChIKeyZMHHUCPZBOCQRJ-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
1-Adamantanecarboxylic acid, morpholide
CID 532249
2-(1-Adamantyl)-1-morpholin-4-ylethanone
CID 2741140
2-(1-Adamantyl)-1-(1-piperidyl)ethan-2-one
CID 31942
Ketone, 1-adamantyl piperidinomethyl, hydrochloride
CID 31941
1-Propanone, 1-(1-adamantyl)-3-morpholino-, hydrochloride
CID 64176
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethan-1-one
CID 2728853
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one
CID 3110950
3-(1-Adamantyl)-1-morpholylpropan-3-one
CID 64177
3,5-Dimethyladamantanyl 2,6-dimethylmorpholin-4-yl ketone
CID 6467638
4-(3,5-Dimethyladamantane-1-carbonyl)morpholine
CID 2918656
2-(1-adamantyl)-1-[N,N-bis(hydroxyethyl)-amino]ethan-2-one
CID 15514462

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride (CID 2836036) is 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride is Cl.O=C(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride?
The InChIKey is ZMHHUCPZBOCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16;/h12-14H,1-11H2;1H.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride?
1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 2836036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).