4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine

C15H28N2O — CID 113335831

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CC2CCCC2C1
InChIInChI=1S/C15H28N2O/c1-2-6-16-15-11-18-10-14(15)9-17-7-12-4-3-5-13(12)8-17/h12-16H,2-11H2,1H3
InChIKeyVWIDBGHQOGYYNA-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds5

About 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine (PubChem CID 113335831) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
PubChem CID113335831
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CC2CCCC2C1
InChIInChI=1S/C15H28N2O/c1-2-6-16-15-11-18-10-14(15)9-17-7-12-4-3-5-13(12)8-17/h12-16H,2-11H2,1H3
InChIKeyVWIDBGHQOGYYNA-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine (CID 113335831) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine is CCCNC1COCC1CN1CC2CCCC2C1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine?
The InChIKey is VWIDBGHQOGYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-6-16-15-11-18-10-14(15)9-17-7-12-4-3-5-13(12)8-17/h12-16H,2-11H2,1H3.
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine is sourced from PubChem (CID 113335831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).