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

C12H25NO2 — CID 106802302

IUPAC6-[methyl(oxan-4-yl)amino]hexan-3-ol
SMILESCCC(O)CCCN(C)C1CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-12(14)5-4-8-13(2)11-6-9-15-10-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyGNVUPBVEYXFCEY-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds6

About 6-[methyl(oxan-4-yl)amino]hexan-3-ol

6-[methyl(oxan-4-yl)amino]hexan-3-ol (PubChem CID 106802302) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-[methyl(oxan-4-yl)amino]hexan-3-ol.

Molecular Properties

Compound Name6-[methyl(oxan-4-yl)amino]hexan-3-ol
PubChem CID106802302
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-[methyl(oxan-4-yl)amino]hexan-3-ol
SMILESCCC(O)CCCN(C)C1CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-12(14)5-4-8-13(2)11-6-9-15-10-7-11/h11-12,14H,3-10H2,1-2H3
InChIKeyGNVUPBVEYXFCEY-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
CID 144600556
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
2-(ethylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64797948
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731
N-butyl-N-methyloxolan-3-amine
CID 154189060
2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 65228049
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxan-4-yl)amino]hexan-3-ol?
The IUPAC name of 6-[methyl(oxan-4-yl)amino]hexan-3-ol (CID 106802302) is 6-[methyl(oxan-4-yl)amino]hexan-3-ol.
What is the SMILES notation for 6-[methyl(oxan-4-yl)amino]hexan-3-ol?
The canonical SMILES for 6-[methyl(oxan-4-yl)amino]hexan-3-ol is CCC(O)CCCN(C)C1CCOCC1.
What is the InChIKey of 6-[methyl(oxan-4-yl)amino]hexan-3-ol?
The InChIKey is GNVUPBVEYXFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(14)5-4-8-13(2)11-6-9-15-10-7-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 6-[methyl(oxan-4-yl)amino]hexan-3-ol?
6-[methyl(oxan-4-yl)amino]hexan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxan-4-yl)amino]hexan-3-ol is sourced from PubChem (CID 106802302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).