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

C10H21NO3 — CID 116521519

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
SMILESCC1(C)CCC(CNC(CO)CO)O1
InChIInChI=1S/C10H21NO3/c1-10(2)4-3-9(14-10)5-11-8(6-12)7-13/h8-9,11-13H,3-7H2,1-2H3
InChIKeyBTXJNQDDHDTVHB-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds5

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

2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol (PubChem CID 116521519) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
PubChem CID116521519
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
SMILESCC1(C)CCC(CNC(CO)CO)O1
InChIInChI=1S/C10H21NO3/c1-10(2)4-3-9(14-10)5-11-8(6-12)7-13/h8-9,11-13H,3-7H2,1-2H3
InChIKeyBTXJNQDDHDTVHB-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 116521719
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 116521337
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol (CID 116521519) is 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol is CC1(C)CCC(CNC(CO)CO)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol?
The InChIKey is BTXJNQDDHDTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2)4-3-9(14-10)5-11-8(6-12)7-13/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol?
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 116521519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).