1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine

C18H29N3 — CID 66118439

IUPAC1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
SMILESCCn1cncc1CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-3-21-12-19-10-17(21)11-20-13(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,3-9,11H2,1-2H3
InChIKeyRBFPZJJADSJPOS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.60
Rot. Bonds5

About 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine

1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine (PubChem CID 66118439) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
PubChem CID66118439
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
SMILESCCn1cncc1CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-3-21-12-19-10-17(21)11-20-13(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,3-9,11H2,1-2H3
InChIKeyRBFPZJJADSJPOS-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine (CID 66118439) is 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine is CCn1cncc1CNC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
The InChIKey is RBFPZJJADSJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-21-12-19-10-17(21)11-20-13(2)18-7-14-4-15(8-18)6-16(5-14)9-18/h10,12-16,20H,3-9,11H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine?
1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66118439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).