2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol

C9H19NO3 — CID 66170060

IUPAC2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
SMILESCC(O)(CO)CNCC1CCOC1
InChIInChI=1S/C9H19NO3/c1-9(12,7-11)6-10-4-8-2-3-13-5-8/h8,10-12H,2-7H2,1H3
InChIKeyUEXMIMFUNKFOCA-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.64
Rot. Bonds5

About 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol

2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol (PubChem CID 66170060) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
PubChem CID66170060
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol
SMILESCC(O)(CO)CNCC1CCOC1
InChIInChI=1S/C9H19NO3/c1-9(12,7-11)6-10-4-8-2-3-13-5-8/h8,10-12H,2-7H2,1H3
InChIKeyUEXMIMFUNKFOCA-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316
2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43207756
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
3-(2-cyclopropylethylamino)-2-methylpropane-1,2-diol
CID 66186922
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63737020
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol (CID 66170060) is 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol is CC(O)(CO)CNCC1CCOC1.
What is the InChIKey of 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol?
The InChIKey is UEXMIMFUNKFOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(12,7-11)6-10-4-8-2-3-13-5-8/h8,10-12H,2-7H2,1H3.
What are the key properties of 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol?
2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-3-ylmethylamino)propane-1,2-diol is sourced from PubChem (CID 66170060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).