(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine

C13H23N — CID 124708771

IUPAC(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C13H23N/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h9-14H,2-8H2,1H3/t9-,10+,11-,12+,13-/m1/s1
InChIKeyBXSOLIKATCOOBM-RXGFPQBGSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds3

About (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine

(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 124708771) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
PubChem CID124708771
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
SMILESCCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C13H23N/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h9-14H,2-8H2,1H3/t9-,10+,11-,12+,13-/m1/s1
InChIKeyBXSOLIKATCOOBM-RXGFPQBGSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine (CID 124708771) is (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine is CCCN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is BXSOLIKATCOOBM-RXGFPQBGSA-N. The full InChI is InChI=1S/C13H23N/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h9-14H,2-8H2,1H3/t9-,10+,11-,12+,13-/m1/s1.
What are the key properties of (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine?
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 193.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 124708771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).