2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol

C12H28N2O3 — CID 64827580

IUPAC2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
SMILESCOCCN(CCC(C)(N)CO)C(C)COC
InChIInChI=1S/C12H28N2O3/c1-11(9-17-4)14(7-8-16-3)6-5-12(2,13)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyXMUYEAMASYEYKR-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.07
Rot. Bonds10

About 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol

2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 64827580) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
PubChem CID64827580
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
SMILESCOCCN(CCC(C)(N)CO)C(C)COC
InChIInChI=1S/C12H28N2O3/c1-11(9-17-4)14(7-8-16-3)6-5-12(2,13)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyXMUYEAMASYEYKR-UHFFFAOYSA-N
XLogP0.07
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 62266357
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825594
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
4-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248683
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
CID 65249083
1-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-2-ol
CID 64821364
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2,2-dimethylbutane-1,3-diamine
CID 66453433
2-amino-2-ethyl-5-[ethyl(1-methoxypropan-2-yl)amino]pentan-1-ol
CID 106809399
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
1-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butan-2-ol
CID 64821591
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82951944
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol (CID 64827580) is 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol is COCCN(CCC(C)(N)CO)C(C)COC.
What is the InChIKey of 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is XMUYEAMASYEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-11(9-17-4)14(7-8-16-3)6-5-12(2,13)10-15/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol?
2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64827580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).