3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol

C12H28N2O2 — CID 114493091

IUPAC3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCN(C)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-12(15,6-2)11-13-7-8-14(3)9-10-16-4/h13,15H,5-11H2,1-4H3
InChIKeyAFFWLSXYVJRXDT-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.71
Rot. Bonds10

About 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol

3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol (PubChem CID 114493091) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
PubChem CID114493091
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCN(C)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-12(15,6-2)11-13-7-8-14(3)9-10-16-4/h13,15H,5-11H2,1-4H3
InChIKeyAFFWLSXYVJRXDT-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol (CID 114493091) is 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCN(C)CCOC.
What is the InChIKey of 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol?
The InChIKey is AFFWLSXYVJRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-5-12(15,6-2)11-13-7-8-14(3)9-10-16-4/h13,15H,5-11H2,1-4H3.
What are the key properties of 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol?
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol has a molecular weight of 232.37 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).