1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol

C12H21NO2 — CID 65105209

IUPAC1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCC1
InChIInChI=1S/C12H21NO2/c14-12(6-2-3-7-12)10-13-9-11-5-1-4-8-15-11/h4,8,11,13-14H,1-3,5-7,9-10H2
InChIKeyPOXZXHHOSDASFE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds4

About 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 65105209) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID65105209
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC2CCC=CO2)CCCC1
InChIInChI=1S/C12H21NO2/c14-12(6-2-3-7-12)10-13-9-11-5-1-4-8-15-11/h4,8,11,13-14H,1-3,5-7,9-10H2
InChIKeyPOXZXHHOSDASFE-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol (CID 65105209) is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol is OC1(CNCC2CCC=CO2)CCCC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is POXZXHHOSDASFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(6-2-3-7-12)10-13-9-11-5-1-4-8-15-11/h4,8,11,13-14H,1-3,5-7,9-10H2.
What are the key properties of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol?
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).