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

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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).