4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol

C12H21NO — CID 52943526

IUPAC4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol
SMILESNCCC1(O)CC2CC3CC(C2)C1C3
InChIInChI=1S/C12H21NO/c13-2-1-12(14)7-9-3-8-4-10(5-9)11(12)6-8/h8-11,14H,1-7,13H2
InChIKeyIOSWNQSWIDISOG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.52
Rot. Bonds2

About 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol

4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol (PubChem CID 52943526) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol
PubChem CID52943526
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol
SMILESNCCC1(O)CC2CC3CC(C2)C1C3
InChIInChI=1S/C12H21NO/c13-2-1-12(14)7-9-3-8-4-10(5-9)11(12)6-8/h8-11,14H,1-7,13H2
InChIKeyIOSWNQSWIDISOG-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol?
The IUPAC name of 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol (CID 52943526) is 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol?
The canonical SMILES for 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol is NCCC1(O)CC2CC3CC(C2)C1C3.
What is the InChIKey of 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol?
The InChIKey is IOSWNQSWIDISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-2-1-12(14)7-9-3-8-4-10(5-9)11(12)6-8/h8-11,14H,1-7,13H2.
What are the key properties of 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol?
4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol has a molecular weight of 195.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)tricyclo[4.3.1.03,8]decan-4-ol is sourced from PubChem (CID 52943526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).