3-(oxan-2-ylmethylamino)propane-1,2-diol

C9H19NO3 — CID 14747658

IUPAC3-(oxan-2-ylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCCO1
InChIInChI=1S/C9H19NO3/c11-7-8(12)5-10-6-9-3-1-2-4-13-9/h8-12H,1-7H2
InChIKeyOIRZWAIRVKMSEU-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds5

About 3-(oxan-2-ylmethylamino)propane-1,2-diol

3-(oxan-2-ylmethylamino)propane-1,2-diol (PubChem CID 14747658) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(oxan-2-ylmethylamino)propane-1,2-diol
PubChem CID14747658
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-(oxan-2-ylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCCO1
InChIInChI=1S/C9H19NO3/c11-7-8(12)5-10-6-9-3-1-2-4-13-9/h8-12H,1-7H2
InChIKeyOIRZWAIRVKMSEU-UHFFFAOYSA-N
XLogP-0.50
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylamino)propane-1,2-diol?
The IUPAC name of 3-(oxan-2-ylmethylamino)propane-1,2-diol (CID 14747658) is 3-(oxan-2-ylmethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(oxan-2-ylmethylamino)propane-1,2-diol?
The canonical SMILES for 3-(oxan-2-ylmethylamino)propane-1,2-diol is OCC(O)CNCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylamino)propane-1,2-diol?
The InChIKey is OIRZWAIRVKMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c11-7-8(12)5-10-6-9-3-1-2-4-13-9/h8-12H,1-7H2.
What are the key properties of 3-(oxan-2-ylmethylamino)propane-1,2-diol?
3-(oxan-2-ylmethylamino)propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylamino)propane-1,2-diol is sourced from PubChem (CID 14747658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).