3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol

C11H26N2O2 — CID 106811269

IUPAC3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CCOC
InChIInChI=1S/C11H26N2O2/c1-4-11(14,10-12)6-5-7-13(2)8-9-15-3/h14H,4-10,12H2,1-3H3
InChIKeyXMZZPSZYBNKPIG-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.44
Rot. Bonds9

About 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol

3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol (PubChem CID 106811269) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
PubChem CID106811269
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CCOC
InChIInChI=1S/C11H26N2O2/c1-4-11(14,10-12)6-5-7-13(2)8-9-15-3/h14H,4-10,12H2,1-3H3
InChIKeyXMZZPSZYBNKPIG-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine
CID 142009573
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
ethane;4-[2-methoxyethyl(methyl)amino]butane-2,2-diol
CID 145060471
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
5-[2-methoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825401

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol (CID 106811269) is 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol is CCC(O)(CN)CCCN(C)CCOC.
What is the InChIKey of 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol?
The InChIKey is XMZZPSZYBNKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-11(14,10-12)6-5-7-13(2)8-9-15-3/h14H,4-10,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol has a molecular weight of 218.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol is sourced from PubChem (CID 106811269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).