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

C12H23NO2 — CID 65108084

IUPAC3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-3-12(14,4-2)10-13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyXMQUVBMTAVINGB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.82
Rot. Bonds6

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

3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol (PubChem CID 65108084) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol
PubChem CID65108084
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-3-12(14,4-2)10-13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyXMQUVBMTAVINGB-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol (CID 65108084) is 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCC1CCC=CO1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol?
The InChIKey is XMQUVBMTAVINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(14,4-2)10-13-9-11-7-5-6-8-15-11/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol?
3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65108084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).