1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol

C12H23NO2 — CID 60723091

IUPAC1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CCCO2)CCCCC1
InChIInChI=1S/C12H23NO2/c14-12(6-2-1-3-7-12)10-13-9-11-5-4-8-15-11/h11,13-14H,1-10H2
InChIKeySGWZXUSZRRTIEN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

About 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol

1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 60723091) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID60723091
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CCCO2)CCCCC1
InChIInChI=1S/C12H23NO2/c14-12(6-2-1-3-7-12)10-13-9-11-5-4-8-15-11/h11,13-14H,1-10H2
InChIKeySGWZXUSZRRTIEN-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 60723091) is 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCC2CCCO2)CCCCC1.
What is the InChIKey of 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is SGWZXUSZRRTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-12(6-2-1-3-7-12)10-13-9-11-5-4-8-15-11/h11,13-14H,1-10H2.
What are the key properties of 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60723091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).