1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine

C16H30N2O — CID 82932398

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C16H30N2O/c1-17-16(13-7-4-2-3-5-8-13)15-11-18-10-6-9-14(18)12-19-15/h13-17H,2-12H2,1H3
InChIKeyZATKWDMURWOIHV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 82932398) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine
PubChem CID82932398
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C16H30N2O/c1-17-16(13-7-4-2-3-5-8-13)15-11-18-10-6-9-14(18)12-19-15/h13-17H,2-12H2,1H3
InChIKeyZATKWDMURWOIHV-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine (CID 82932398) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine is CNC(C1CCCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is ZATKWDMURWOIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-16(13-7-4-2-3-5-8-13)15-11-18-10-6-9-14(18)12-19-15/h13-17H,2-12H2,1H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 82932398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).