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

C13H30N2O2 — CID 64898384

IUPAC4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
SMILESCCC(CC)N(CCOC)CC(CCO)NC
InChIInChI=1S/C13H30N2O2/c1-5-13(6-2)15(8-10-17-4)11-12(14-3)7-9-16/h12-14,16H,5-11H2,1-4H3
InChIKeyIUBNMPGAQQXJET-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.09
Rot. Bonds11

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

4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol (PubChem CID 64898384) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
PubChem CID64898384
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
SMILESCCC(CC)N(CCOC)CC(CCO)NC
InChIInChI=1S/C13H30N2O2/c1-5-13(6-2)15(8-10-17-4)11-12(14-3)7-9-16/h12-14,16H,5-11H2,1-4H3
InChIKeyIUBNMPGAQQXJET-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxyethyl(3-methoxypropyl)amino]-3-(methylamino)butan-1-ol
CID 64899469
3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
CID 64825973
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
CID 64899677
N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
CID 63618872
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
CID 64900542
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol (CID 64898384) is 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol is CCC(CC)N(CCOC)CC(CCO)NC.
What is the InChIKey of 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol?
The InChIKey is IUBNMPGAQQXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-13(6-2)15(8-10-17-4)11-12(14-3)7-9-16/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol?
4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64898384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).