2-[3-(2-aminoethyl)-1-adamantyl]ethanamine

C14H26N2 — CID 818513

IUPAC2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
SMILESNCCC12CC3CC(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H26N2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12H,1-10,15-16H2
InChIKeyABLOCEKNNGBRGT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds4

About 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine

2-[3-(2-aminoethyl)-1-adamantyl]ethanamine (PubChem CID 818513) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
PubChem CID818513
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
SMILESNCCC12CC3CC(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H26N2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12H,1-10,15-16H2
InChIKeyABLOCEKNNGBRGT-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine?
The IUPAC name of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine (CID 818513) is 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine.
What is the SMILES notation for 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine?
The canonical SMILES for 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine is NCCC12CC3CC(C1)CC(CCN)(C3)C2.
What is the InChIKey of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine?
The InChIKey is ABLOCEKNNGBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12H,1-10,15-16H2.
What are the key properties of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine?
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine is sourced from PubChem (CID 818513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).