3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine

C11H15NO — CID 67558971

IUPAC3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
SMILESNCCCC1=C2C=CC=C2COC1
InChIInChI=1S/C11H15NO/c12-6-2-4-10-8-13-7-9-3-1-5-11(9)10/h1,3,5H,2,4,6-8,12H2
InChIKeyJYCMIRXFLDMODK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.55
Rot. Bonds3

About 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine

3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine (PubChem CID 67558971) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
PubChem CID67558971
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
SMILESNCCCC1=C2C=CC=C2COC1
InChIInChI=1S/C11H15NO/c12-6-2-4-10-8-13-7-9-3-1-5-11(9)10/h1,3,5H,2,4,6-8,12H2
InChIKeyJYCMIRXFLDMODK-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine?
The IUPAC name of 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine (CID 67558971) is 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine?
The canonical SMILES for 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine is NCCCC1=C2C=CC=C2COC1.
What is the InChIKey of 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine?
The InChIKey is JYCMIRXFLDMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-6-2-4-10-8-13-7-9-3-1-5-11(9)10/h1,3,5H,2,4,6-8,12H2.
What are the key properties of 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine?
3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydrocyclopenta[c]pyran-4-yl)propan-1-amine is sourced from PubChem (CID 67558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).