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

C15H28N2O — CID 82932302

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine
SMILESNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C15H28N2O/c16-15(12-6-3-1-2-4-7-12)14-10-17-9-5-8-13(17)11-18-14/h12-15H,1-11,16H2
InChIKeyDQSIALPRRXHPNN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.15
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine (PubChem CID 82932302) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine
PubChem CID82932302
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine
SMILESNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C15H28N2O/c16-15(12-6-3-1-2-4-7-12)14-10-17-9-5-8-13(17)11-18-14/h12-15H,1-11,16H2
InChIKeyDQSIALPRRXHPNN-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine (CID 82932302) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine is NC(C1CCCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine?
The InChIKey is DQSIALPRRXHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-15(12-6-3-1-2-4-7-12)14-10-17-9-5-8-13(17)11-18-14/h12-15H,1-11,16H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine is sourced from PubChem (CID 82932302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).