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

C13H29NO3 — CID 115919423

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCCOC)CCOC
InChIInChI=1S/C13H29NO3/c1-5-13(15,6-2)12-14(9-11-17-4)8-7-10-16-3/h15H,5-12H2,1-4H3
InChIKeyISYDCGXNQOPASK-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.52
Rot. Bonds11

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

3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol (PubChem CID 115919423) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
PubChem CID115919423
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCCOC)CCOC
InChIInChI=1S/C13H29NO3/c1-5-13(15,6-2)12-14(9-11-17-4)8-7-10-16-3/h15H,5-12H2,1-4H3
InChIKeyISYDCGXNQOPASK-UHFFFAOYSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol
CID 114495808
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
CID 62260121
1-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 114495810
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
1-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-2-phenylpropan-2-ol
CID 64822026
2-ethyl-5-[2-methoxyethyl(3-methoxypropyl)amino]-2-(methylamino)pentan-1-ol
CID 106809480
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol (CID 115919423) is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CN(CCCOC)CCOC.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol?
The InChIKey is ISYDCGXNQOPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-13(15,6-2)12-14(9-11-17-4)8-7-10-16-3/h15H,5-12H2,1-4H3.
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol?
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol has a molecular weight of 247.38 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 115919423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).