N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine

C8H15NO — CID 166968771

IUPACN-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
SMILESCNC1COC2CCCC12
InChIInChI=1S/C8H15NO/c1-9-7-5-10-8-4-2-3-6(7)8/h6-9H,2-5H2,1H3
InChIKeyBVNOCKWOCGOODF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds1

About N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine

N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine (PubChem CID 166968771) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine.

Molecular Properties

Compound NameN-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
PubChem CID166968771
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
SMILESCNC1COC2CCCC12
InChIInChI=1S/C8H15NO/c1-9-7-5-10-8-4-2-3-6(7)8/h6-9H,2-5H2,1H3
InChIKeyBVNOCKWOCGOODF-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The IUPAC name of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine (CID 166968771) is N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine.
What is the SMILES notation for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The canonical SMILES for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine is CNC1COC2CCCC12.
What is the InChIKey of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The InChIKey is BVNOCKWOCGOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-5-10-8-4-2-3-6(7)8/h6-9H,2-5H2,1H3.
What are the key properties of N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine is sourced from PubChem (CID 166968771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).