1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

C18H32N2O — CID 61430229

IUPAC1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1CC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2)12-21-4-3-20(17)11-16(19)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-16H,3-12,19H2,1-2H3
InChIKeyKVGSLWQXYKHKBU-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.64
Rot. Bonds3

About 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine

1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (PubChem CID 61430229) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
PubChem CID61430229
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
SMILESCC1(C)COCCN1CC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2)12-21-4-3-20(17)11-16(19)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-16H,3-12,19H2,1-2H3
InChIKeyKVGSLWQXYKHKBU-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine 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

3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
1-(3,3-dimethylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101994
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine
CID 62476464
2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 61432961
1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79177412
3-(3,3-dimethylmorpholin-4-yl)-2-ethoxypropan-1-amine
CID 63070053
1-(3,3-dimethylmorpholin-4-yl)-N-methylbutan-2-amine
CID 62038435
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
3-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 66010292
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
4-(3-bromo-2-phenylpropyl)-3,3-dimethylmorpholine
CID 65016564

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine (CID 61430229) is 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is CC1(C)COCCN1CC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is KVGSLWQXYKHKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2)12-21-4-3-20(17)11-16(19)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-16H,3-12,19H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine?
1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 61430229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).