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

C14H26N2 — CID 658185

IUPAC1-[3-(1-aminoethyl)-1-adamantyl]ethanamine
SMILESCC(N)C12CC3CC(C1)CC(C(C)N)(C3)C2
InChIInChI=1S/C14H26N2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h9-12H,3-8,15-16H2,1-2H3
InChIKeyKYSLSKQSMMRYDC-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds2

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

1-[3-(1-aminoethyl)-1-adamantyl]ethanamine (PubChem CID 658185) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)-1-adamantyl]ethanamine
PubChem CID658185
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[3-(1-aminoethyl)-1-adamantyl]ethanamine
SMILESCC(N)C12CC3CC(C1)CC(C(C)N)(C3)C2
InChIInChI=1S/C14H26N2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h9-12H,3-8,15-16H2,1-2H3
InChIKeyKYSLSKQSMMRYDC-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine?
The IUPAC name of 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine (CID 658185) is 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine.
What is the SMILES notation for 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine?
The canonical SMILES for 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine is CC(N)C12CC3CC(C1)CC(C(C)N)(C3)C2.
What is the InChIKey of 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine?
The InChIKey is KYSLSKQSMMRYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-9(15)13-4-11-3-12(5-13)7-14(6-11,8-13)10(2)16/h9-12H,3-8,15-16H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine?
1-[3-(1-aminoethyl)-1-adamantyl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)-1-adamantyl]ethanamine is sourced from PubChem (CID 658185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).