2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol

C10H21NO3 — CID 107865005

IUPAC2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC1(C)COC1
InChIInChI=1S/C10H21NO3/c1-3-10(5-12,6-13)11-4-9(2)7-14-8-9/h11-13H,3-8H2,1-2H3
InChIKeyUFQHFNYZYRPDOB-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.25
Rot. Bonds6

About 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol (PubChem CID 107865005) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
PubChem CID107865005
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC1(C)COC1
InChIInChI=1S/C10H21NO3/c1-3-10(5-12,6-13)11-4-9(2)7-14-8-9/h11-13H,3-8H2,1-2H3
InChIKeyUFQHFNYZYRPDOB-UHFFFAOYSA-N
XLogP-0.25
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
CID 107850741
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine
CID 65041154
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413
(2R)-N-[(3-methyloxetan-3-yl)methyl]azetidine-2-carboxamide;hydrochloride
CID 130637833
N-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
1-[(3-ethylpentan-3-ylamino)methyl]cyclopentan-1-ol
CID 65210699
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 131154136

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol (CID 107865005) is 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCC1(C)COC1.
What is the InChIKey of 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The InChIKey is UFQHFNYZYRPDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-10(5-12,6-13)11-4-9(2)7-14-8-9/h11-13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol has a molecular weight of 203.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107865005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).