1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol

C13H30N2O3 — CID 54985437

IUPAC1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCCOC)CCOC
InChIInChI=1S/C13H30N2O3/c1-4-6-14-11-13(16)12-15(8-10-18-3)7-5-9-17-2/h13-14,16H,4-12H2,1-3H3
InChIKeyGYMHOUKBRWLPCX-UHFFFAOYSA-N
MW262.39 g/mol
LogP0.33
Rot. Bonds13

About 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol

1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol (PubChem CID 54985437) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
PubChem CID54985437
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCCOC)CCOC
InChIInChI=1S/C13H30N2O3/c1-4-6-14-11-13(16)12-15(8-10-18-3)7-5-9-17-2/h13-14,16H,4-12H2,1-3H3
InChIKeyGYMHOUKBRWLPCX-UHFFFAOYSA-N
XLogP0.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-(2-methoxyethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 115475131

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol (CID 54985437) is 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(CCCOC)CCOC.
What is the InChIKey of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is GYMHOUKBRWLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-4-6-14-11-13(16)12-15(8-10-18-3)7-5-9-17-2/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol?
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 0.33, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 54985437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).