3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol

C10H21NO3 — CID 103878575

IUPAC3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1(CO)CCOCC1
InChIInChI=1S/C10H21NO3/c1-9(7-12)6-11-10(8-13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3
InChIKeyFJZUIXOMFSFJCM-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.25
Rot. Bonds5

About 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol

3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 103878575) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
PubChem CID103878575
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1(CO)CCOCC1
InChIInChI=1S/C10H21NO3/c1-9(7-12)6-11-10(8-13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3
InChIKeyFJZUIXOMFSFJCM-UHFFFAOYSA-N
XLogP-0.25
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol (CID 103878575) is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol is CC(CO)CNC1(CO)CCOCC1.
What is the InChIKey of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is FJZUIXOMFSFJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(7-12)6-11-10(8-13)2-4-14-5-3-10/h9,11-13H,2-8H2,1H3.
What are the key properties of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol?
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 203.28 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 103878575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).