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

C9H19NO3 — CID 65314164

IUPAC2-(oxan-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCC1CCCCO1
InChIInChI=1S/C9H19NO3/c11-6-8(7-12)10-5-9-3-1-2-4-13-9/h8-12H,1-7H2
InChIKeyQWVIHWUUGLJMQL-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds5

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

2-(oxan-2-ylmethylamino)propane-1,3-diol (PubChem CID 65314164) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)propane-1,3-diol
PubChem CID65314164
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(oxan-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCC1CCCCO1
InChIInChI=1S/C9H19NO3/c11-6-8(7-12)10-5-9-3-1-2-4-13-9/h8-12H,1-7H2
InChIKeyQWVIHWUUGLJMQL-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

(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
N-(oxan-2-ylmethyl)heptan-3-amine
CID 63946719
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
[(2S)-oxan-2-yl]methanol
CID 6950811
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-(oxan-2-ylmethylamino)propane-1,3-diol (CID 65314164) is 2-(oxan-2-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-(oxan-2-ylmethylamino)propane-1,3-diol is OCC(CO)NCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylamino)propane-1,3-diol?
The InChIKey is QWVIHWUUGLJMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c11-6-8(7-12)10-5-9-3-1-2-4-13-9/h8-12H,1-7H2.
What are the key properties of 2-(oxan-2-ylmethylamino)propane-1,3-diol?
2-(oxan-2-ylmethylamino)propane-1,3-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 2-(oxan-2-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 65314164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).