3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol

C10H20N2O2 — CID 105452951

IUPAC3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCOCC2)CCNC1
InChIInChI=1S/C10H20N2O2/c13-10(3-4-11-7-10)8-12-9-1-5-14-6-2-9/h9,11-13H,1-8H2
InChIKeyHYPCTAJXAMPDOL-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.52
Rot. Bonds3

About 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol

3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 105452951) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
PubChem CID105452951
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCOCC2)CCNC1
InChIInChI=1S/C10H20N2O2/c13-10(3-4-11-7-10)8-12-9-1-5-14-6-2-9/h9,11-13H,1-8H2
InChIKeyHYPCTAJXAMPDOL-UHFFFAOYSA-N
XLogP-0.52
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol (CID 105452951) is 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol is OC1(CNC2CCOCC2)CCNC1.
What is the InChIKey of 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is HYPCTAJXAMPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-10(3-4-11-7-10)8-12-9-1-5-14-6-2-9/h9,11-13H,1-8H2.
What are the key properties of 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol?
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105452951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).