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

C14H28Cl2N2 — CID 53444440

IUPAC2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCC12CC3CC(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H26N2.2ClH/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;2*1H
InChIKeyVGTSVJDRFQBIMR-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.11
Rot. Bonds4

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

2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride (PubChem CID 53444440) has the molecular formula C14H28Cl2N2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
PubChem CID53444440
Molecular FormulaC14H28Cl2N2
Molecular Weight295.30 g/mol
Exact Mass294.16
IUPAC Name2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCC12CC3CC(C1)CC(CCN)(C3)C2
InChIInChI=1S/C14H26N2.2ClH/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;2*1H
InChIKeyVGTSVJDRFQBIMR-UHFFFAOYSA-N
XLogP3.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.11
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;dihydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride (CID 53444440) is 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride is Cl.Cl.NCCC12CC3CC(C1)CC(CCN)(C3)C2.
What is the InChIKey of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride?
The InChIKey is VGTSVJDRFQBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.2ClH/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;2*1H.
What are the key properties of 2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride?
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride has a molecular weight of 295.30 g/mol, XLogP of 3.11, 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;dihydrochloride is sourced from PubChem (CID 53444440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).