(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine

C10H16N2O — CID 82408883

IUPAC(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine
SMILESC[C@H](N)c1nc2c(o1)CCCCC2
InChIInChI=1S/C10H16N2O/c1-7(11)10-12-8-5-3-2-4-6-9(8)13-10/h7H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyFDKKTPJJJUGIQU-ZETCQYMHSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds1

About (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine

(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine (PubChem CID 82408883) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine
PubChem CID82408883
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine
SMILESC[C@H](N)c1nc2c(o1)CCCCC2
InChIInChI=1S/C10H16N2O/c1-7(11)10-12-8-5-3-2-4-6-9(8)13-10/h7H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyFDKKTPJJJUGIQU-ZETCQYMHSA-N
XLogP1.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine (CID 82408883) is (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine is C[C@H](N)c1nc2c(o1)CCCCC2.
What is the InChIKey of (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine?
The InChIKey is FDKKTPJJJUGIQU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(11)10-12-8-5-3-2-4-6-9(8)13-10/h7H,2-6,11H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine?
(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine is sourced from PubChem (CID 82408883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).