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

C14H28N2O — CID 79088304

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H28N2O/c1-3-5-11(2)8-13(15)14-9-16-7-4-6-12(16)10-17-14/h11-14H,3-10,15H2,1-2H3
InChIKeyMJNKASXIGCTNRE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine (PubChem CID 79088304) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine
PubChem CID79088304
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1CN2CCCC2CO1
InChIInChI=1S/C14H28N2O/c1-3-5-11(2)8-13(15)14-9-16-7-4-6-12(16)10-17-14/h11-14H,3-10,15H2,1-2H3
InChIKeyMJNKASXIGCTNRE-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
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)-3-methylhexan-1-amine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine (CID 79088304) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine is CCCC(C)CC(N)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine?
The InChIKey is MJNKASXIGCTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-11(2)8-13(15)14-9-16-7-4-6-12(16)10-17-14/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 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)-3-methylhexan-1-amine is sourced from PubChem (CID 79088304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).