4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol

C12H28N2O3 — CID 64899469

IUPAC4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN(CCCOC)CCOC
InChIInChI=1S/C12H28N2O3/c1-13-12(5-8-15)11-14(7-10-17-3)6-4-9-16-2/h12-13,15H,4-11H2,1-3H3
InChIKeyFZTOCBSXACFYDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.06
Rot. Bonds12

About 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol

4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol (PubChem CID 64899469) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
PubChem CID64899469
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN(CCCOC)CCOC
InChIInChI=1S/C12H28N2O3/c1-13-12(5-8-15)11-14(7-10-17-3)6-4-9-16-2/h12-13,15H,4-11H2,1-3H3
InChIKeyFZTOCBSXACFYDZ-UHFFFAOYSA-N
XLogP-0.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
CID 64898384
4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
CID 102992320
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol (CID 64899469) is 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol is CNC(CCO)CN(CCCOC)CCOC.
What is the InChIKey of 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol?
The InChIKey is FZTOCBSXACFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-13-12(5-8-15)11-14(7-10-17-3)6-4-9-16-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol?
4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of -0.06, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64899469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).