[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol

C12H25NO3 — CID 82953185

IUPAC[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
SMILESCOCCN(CC1(CO)CCOC1)C(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)13(5-7-15-3)8-12(9-14)4-6-16-10-12/h11,14H,4-10H2,1-3H3
InChIKeyRKLAYRRLVJAVTH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.74
Rot. Bonds7

About [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol

[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol (PubChem CID 82953185) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
PubChem CID82953185
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
SMILESCOCCN(CC1(CO)CCOC1)C(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)13(5-7-15-3)8-12(9-14)4-6-16-10-12/h11,14H,4-10H2,1-3H3
InChIKeyRKLAYRRLVJAVTH-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol with MolForge

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Related Compounds

N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-4-yl]methanethiol
CID 82965927
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methylcyclohexyl]methanol
CID 82952946
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272855

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol (CID 82953185) is [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol is COCCN(CC1(CO)CCOC1)C(C)C.
What is the InChIKey of [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol?
The InChIKey is RKLAYRRLVJAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)13(5-7-15-3)8-12(9-14)4-6-16-10-12/h11,14H,4-10H2,1-3H3.
What are the key properties of [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol?
[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 82953185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).