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

C14H26N2O — CID 79088768

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine
SMILESNC(C1CCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H26N2O/c15-14(11-5-2-1-3-6-11)13-9-16-8-4-7-12(16)10-17-13/h11-14H,1-10,15H2
InChIKeyICNYJNFAOZNJHP-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine (PubChem CID 79088768) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine
PubChem CID79088768
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine
SMILESNC(C1CCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H26N2O/c15-14(11-5-2-1-3-6-11)13-9-16-8-4-7-12(16)10-17-13/h11-14H,1-10,15H2
InChIKeyICNYJNFAOZNJHP-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
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(cyclohexyl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine (CID 79088768) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine is NC(C1CCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine?
The InChIKey is ICNYJNFAOZNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-14(11-5-2-1-3-6-11)13-9-16-8-4-7-12(16)10-17-13/h11-14H,1-10,15H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 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(cyclohexyl)methanamine is sourced from PubChem (CID 79088768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).