3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol

C9H19NO3 — CID 82835676

IUPAC3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
SMILESCC1CCC(CNCC(O)CO)O1
InChIInChI=1S/C9H19NO3/c1-7-2-3-9(13-7)5-10-4-8(12)6-11/h7-12H,2-6H2,1H3
InChIKeyNVSDKULDIYESPR-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds5

About 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol

3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol (PubChem CID 82835676) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
PubChem CID82835676
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
SMILESCC1CCC(CNCC(O)CO)O1
InChIInChI=1S/C9H19NO3/c1-7-2-3-9(13-7)5-10-4-8(12)6-11/h7-12H,2-6H2,1H3
InChIKeyNVSDKULDIYESPR-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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Related Compounds

3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904444
2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol
CID 82835778
2-N,2-N-dimethyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 82835760
(2R)-2-[(5-methyloxolan-2-yl)methylamino]propan-1-ol
CID 114985738
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
3-[(5-methyloxolan-2-yl)methylsulfanyl]propane-1,2-diol
CID 103136143
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
2-[(5-methyloxolan-2-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434859
[2-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 82835373
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
[1-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 82836590

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol (CID 82835676) is 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol is CC1CCC(CNCC(O)CO)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol?
The InChIKey is NVSDKULDIYESPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7-2-3-9(13-7)5-10-4-8(12)6-11/h7-12H,2-6H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol?
3-[(5-methyloxolan-2-yl)methylamino]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-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 82835676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).