4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol

C12H23NO3 — CID 104985620

IUPAC4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C1CCCOC1
InChIInChI=1S/C12H23NO3/c1-13(11-3-2-6-16-9-11)10-12(14)4-7-15-8-5-12/h11,14H,2-10H2,1H3
InChIKeyIUUJLQPRMCPRMQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.64
Rot. Bonds3

About 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol

4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol (PubChem CID 104985620) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
PubChem CID104985620
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C1CCCOC1
InChIInChI=1S/C12H23NO3/c1-13(11-3-2-6-16-9-11)10-12(14)4-7-15-8-5-12/h11,14H,2-10H2,1H3
InChIKeyIUUJLQPRMCPRMQ-UHFFFAOYSA-N
XLogP0.64
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
1-[[methyl(oxetan-3-yl)amino]methyl]cyclopentan-1-ol
CID 131153818
4-[[(3,4-dimethylcyclohexyl)-methylamino]methyl]oxan-4-ol
CID 114952965
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
3-[methyl(oxan-3-yl)amino]propanimidamide
CID 107134910
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol (CID 104985620) is 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C1CCCOC1.
What is the InChIKey of 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol?
The InChIKey is IUUJLQPRMCPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(11-3-2-6-16-9-11)10-12(14)4-7-15-8-5-12/h11,14H,2-10H2,1H3.
What are the key properties of 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol?
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol has a molecular weight of 229.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 104985620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).