4-[(oxolan-2-ylamino)methyl]azepan-4-ol

C11H22N2O2 — CID 105467942

IUPAC4-[(oxolan-2-ylamino)methyl]azepan-4-ol
SMILESOC1(CNC2CCCO2)CCCNCC1
InChIInChI=1S/C11H22N2O2/c14-11(4-2-6-12-7-5-11)9-13-10-3-1-8-15-10/h10,12-14H,1-9H2
InChIKeyIWOSOROJMNRLLX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds3

About 4-[(oxolan-2-ylamino)methyl]azepan-4-ol

4-[(oxolan-2-ylamino)methyl]azepan-4-ol (PubChem CID 105467942) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(oxolan-2-ylamino)methyl]azepan-4-ol.

Molecular Properties

Compound Name4-[(oxolan-2-ylamino)methyl]azepan-4-ol
PubChem CID105467942
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[(oxolan-2-ylamino)methyl]azepan-4-ol
SMILESOC1(CNC2CCCO2)CCCNCC1
InChIInChI=1S/C11H22N2O2/c14-11(4-2-6-12-7-5-11)9-13-10-3-1-8-15-10/h10,12-14H,1-9H2
InChIKeyIWOSOROJMNRLLX-UHFFFAOYSA-N
XLogP0.22
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(oxolan-2-ylamino)methyl]azepan-4-ol?
The IUPAC name of 4-[(oxolan-2-ylamino)methyl]azepan-4-ol (CID 105467942) is 4-[(oxolan-2-ylamino)methyl]azepan-4-ol.
What is the SMILES notation for 4-[(oxolan-2-ylamino)methyl]azepan-4-ol?
The canonical SMILES for 4-[(oxolan-2-ylamino)methyl]azepan-4-ol is OC1(CNC2CCCO2)CCCNCC1.
What is the InChIKey of 4-[(oxolan-2-ylamino)methyl]azepan-4-ol?
The InChIKey is IWOSOROJMNRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-11(4-2-6-12-7-5-11)9-13-10-3-1-8-15-10/h10,12-14H,1-9H2.
What are the key properties of 4-[(oxolan-2-ylamino)methyl]azepan-4-ol?
4-[(oxolan-2-ylamino)methyl]azepan-4-ol has a molecular weight of 214.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxolan-2-ylamino)methyl]azepan-4-ol is sourced from PubChem (CID 105467942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).