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

C16H30N2O — CID 79082817

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine
SMILESC1CCCC(CNCC2CN3CCCC3CO2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-7-14(6-3-1)10-17-11-16-12-18-9-5-8-15(18)13-19-16/h14-17H,1-13H2
InChIKeyYICLFRDTLRWMTK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds4

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

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine (PubChem CID 79082817) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine
PubChem CID79082817
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine
SMILESC1CCCC(CNCC2CN3CCCC3CO2)CC1
InChIInChI=1S/C16H30N2O/c1-2-4-7-14(6-3-1)10-17-11-16-12-18-9-5-8-15(18)13-19-16/h14-17H,1-13H2
InChIKeyYICLFRDTLRWMTK-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine (CID 79082817) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine is C1CCCC(CNCC2CN3CCCC3CO2)CC1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine?
The InChIKey is YICLFRDTLRWMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-4-7-14(6-3-1)10-17-11-16-12-18-9-5-8-15(18)13-19-16/h14-17H,1-13H2.
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine is sourced from PubChem (CID 79082817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).