4-ethyltricyclo[5.2.1.02,6]decan-8-amine

C12H21N — CID 155442148

IUPAC4-ethyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC1CC2C3CC(N)C(C3)C2C1
InChIInChI=1S/C12H21N/c1-2-7-3-9-8-5-11(10(9)4-7)12(13)6-8/h7-12H,2-6,13H2,1H3
InChIKeySWNMAGCXQJQPSR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.41
Rot. Bonds1

About 4-ethyltricyclo[5.2.1.02,6]decan-8-amine

4-ethyltricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 155442148) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-ethyltricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name4-ethyltricyclo[5.2.1.02,6]decan-8-amine
PubChem CID155442148
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-ethyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC1CC2C3CC(N)C(C3)C2C1
InChIInChI=1S/C12H21N/c1-2-7-3-9-8-5-11(10(9)4-7)12(13)6-8/h7-12H,2-6,13H2,1H3
InChIKeySWNMAGCXQJQPSR-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyltricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 4-ethyltricyclo[5.2.1.02,6]decan-8-amine (CID 155442148) is 4-ethyltricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 4-ethyltricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 4-ethyltricyclo[5.2.1.02,6]decan-8-amine is CCC1CC2C3CC(N)C(C3)C2C1.
What is the InChIKey of 4-ethyltricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is SWNMAGCXQJQPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-7-3-9-8-5-11(10(9)4-7)12(13)6-8/h7-12H,2-6,13H2,1H3.
What are the key properties of 4-ethyltricyclo[5.2.1.02,6]decan-8-amine?
4-ethyltricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 155442148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).