(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine

C9H15NO — CID 122393445

IUPAC(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine
SMILESNC12CC3C[C@H](C1)O[C@@H](C3)C2
InChIInChI=1S/C9H15NO/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8H,1-5,10H2/t6?,7-,8+,9?
InChIKeyNYHSVISZABWUIA-VGKQMMLZSA-N
MW153.22 g/mol
LogP1.05
Rot. Bonds

About (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine

(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine (PubChem CID 122393445) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine.

Molecular Properties

Compound Name(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine
PubChem CID122393445
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine
SMILESNC12CC3C[C@H](C1)O[C@@H](C3)C2
InChIInChI=1S/C9H15NO/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8H,1-5,10H2/t6?,7-,8+,9?
InChIKeyNYHSVISZABWUIA-VGKQMMLZSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine?
The IUPAC name of (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine (CID 122393445) is (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine.
What is the SMILES notation for (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine?
The canonical SMILES for (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine is NC12CC3C[C@H](C1)O[C@@H](C3)C2.
What is the InChIKey of (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine?
The InChIKey is NYHSVISZABWUIA-VGKQMMLZSA-N. The full InChI is InChI=1S/C9H15NO/c10-9-3-6-1-7(4-9)11-8(2-6)5-9/h6-8H,1-5,10H2/t6?,7-,8+,9?.
What are the key properties of (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine?
(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine has a molecular weight of 153.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine is sourced from PubChem (CID 122393445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).