1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine

C11H21NO — CID 130393731

IUPAC1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine
SMILESCC(N)CC1COC2C(C)CCC12
InChIInChI=1S/C11H21NO/c1-7-3-4-10-9(5-8(2)12)6-13-11(7)10/h7-11H,3-6,12H2,1-2H3
InChIKeyAZZCMKHRDCRDEP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine

1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine (PubChem CID 130393731) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine
PubChem CID130393731
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine
SMILESCC(N)CC1COC2C(C)CCC12
InChIInChI=1S/C11H21NO/c1-7-3-4-10-9(5-8(2)12)6-13-11(7)10/h7-11H,3-6,12H2,1-2H3
InChIKeyAZZCMKHRDCRDEP-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine?
The IUPAC name of 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine (CID 130393731) is 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine?
The canonical SMILES for 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine is CC(N)CC1COC2C(C)CCC12.
What is the InChIKey of 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine?
The InChIKey is AZZCMKHRDCRDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-3-4-10-9(5-8(2)12)6-13-11(7)10/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine?
1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine is sourced from PubChem (CID 130393731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).