1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine

C9H18N2O — CID 71683693

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine
SMILESNCC1CN2CCCCC2CO1
InChIInChI=1S/C9H18N2O/c10-5-9-6-11-4-2-1-3-8(11)7-12-9/h8-9H,1-7,10H2
InChIKeyHGHFOXXRWZPFQQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine (PubChem CID 71683693) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine
PubChem CID71683693
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine
SMILESNCC1CN2CCCCC2CO1
InChIInChI=1S/C9H18N2O/c10-5-9-6-11-4-2-1-3-8(11)7-12-9/h8-9H,1-7,10H2
InChIKeyHGHFOXXRWZPFQQ-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine (CID 71683693) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine is NCC1CN2CCCCC2CO1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine?
The InChIKey is HGHFOXXRWZPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-5-9-6-11-4-2-1-3-8(11)7-12-9/h8-9H,1-7,10H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethanamine is sourced from PubChem (CID 71683693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).