N-[1-(1-adamantyl)ethyl]morpholin-4-amine

C16H28N2O — CID 83008913

IUPACN-[1-(1-adamantyl)ethyl]morpholin-4-amine
SMILESCC(NN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-12(17-18-2-4-19-5-3-18)16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15,17H,2-11H2,1H3
InChIKeyPDGDXZWOQKWOBU-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.43
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]morpholin-4-amine

N-[1-(1-adamantyl)ethyl]morpholin-4-amine (PubChem CID 83008913) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]morpholin-4-amine
PubChem CID83008913
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(1-adamantyl)ethyl]morpholin-4-amine
SMILESCC(NN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-12(17-18-2-4-19-5-3-18)16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15,17H,2-11H2,1H3
InChIKeyPDGDXZWOQKWOBU-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]morpholin-4-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]morpholin-4-amine (CID 83008913) is N-[1-(1-adamantyl)ethyl]morpholin-4-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]morpholin-4-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]morpholin-4-amine is CC(NN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]morpholin-4-amine?
The InChIKey is PDGDXZWOQKWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(17-18-2-4-19-5-3-18)16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15,17H,2-11H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]morpholin-4-amine?
N-[1-(1-adamantyl)ethyl]morpholin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]morpholin-4-amine is sourced from PubChem (CID 83008913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).