1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine

C10H20N2O — CID 167189776

IUPAC1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine
SMILESCNC(C)N1CCO[C@H]2CCC[C@@H]21
InChIInChI=1S/C10H20N2O/c1-8(11-2)12-6-7-13-10-5-3-4-9(10)12/h8-11H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyVWYWCSRBMWIDKP-AGROOBSYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds2

About 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine

1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine (PubChem CID 167189776) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine
PubChem CID167189776
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine
SMILESCNC(C)N1CCO[C@H]2CCC[C@@H]21
InChIInChI=1S/C10H20N2O/c1-8(11-2)12-6-7-13-10-5-3-4-9(10)12/h8-11H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyVWYWCSRBMWIDKP-AGROOBSYSA-N
XLogP0.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine (CID 167189776) is 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine is CNC(C)N1CCO[C@H]2CCC[C@@H]21.
What is the InChIKey of 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine?
The InChIKey is VWYWCSRBMWIDKP-AGROOBSYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(11-2)12-6-7-13-10-5-3-4-9(10)12/h8-11H,3-7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine?
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methylethanamine is sourced from PubChem (CID 167189776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).