N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine

C14H28N2O — CID 62570516

IUPACN-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O/c1-4-11(2)15-10-12(3)16-8-9-17-14-7-5-6-13(14)16/h11-15H,4-10H2,1-3H3
InChIKeyOCVADQFDLALNKN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine

N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine (PubChem CID 62570516) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine
PubChem CID62570516
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)N1CCOC2CCCC21
InChIInChI=1S/C14H28N2O/c1-4-11(2)15-10-12(3)16-8-9-17-14-7-5-6-13(14)16/h11-15H,4-10H2,1-3H3
InChIKeyOCVADQFDLALNKN-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine?
The IUPAC name of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine (CID 62570516) is N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine?
The canonical SMILES for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine is CCC(C)NCC(C)N1CCOC2CCCC21.
What is the InChIKey of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine?
The InChIKey is OCVADQFDLALNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11(2)15-10-12(3)16-8-9-17-14-7-5-6-13(14)16/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine?
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]butan-2-amine is sourced from PubChem (CID 62570516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).