2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine

C11H20N2 — CID 90344511

IUPAC2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine
SMILESNCCC1C2CC3CC(C2)CN1C3
InChIInChI=1S/C11H20N2/c12-2-1-11-10-4-8-3-9(5-10)7-13(11)6-8/h8-11H,1-7,12H2
InChIKeyYLHMHNBYFBSYCY-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.07
Rot. Bonds2

About 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine

2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine (PubChem CID 90344511) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine
PubChem CID90344511
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine
SMILESNCCC1C2CC3CC(C2)CN1C3
InChIInChI=1S/C11H20N2/c12-2-1-11-10-4-8-3-9(5-10)7-13(11)6-8/h8-11H,1-7,12H2
InChIKeyYLHMHNBYFBSYCY-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine?
The IUPAC name of 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine (CID 90344511) is 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine?
The canonical SMILES for 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine is NCCC1C2CC3CC(C2)CN1C3.
What is the InChIKey of 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine?
The InChIKey is YLHMHNBYFBSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-2-1-11-10-4-8-3-9(5-10)7-13(11)6-8/h8-11H,1-7,12H2.
What are the key properties of 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine?
2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine has a molecular weight of 180.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azatricyclo[3.3.1.13,7]decan-2-yl)ethanamine is sourced from PubChem (CID 90344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).