3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol

C12H27NO3 — CID 62266357

IUPAC3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCOCCN(CC(C)(C)CO)C(C)COC
InChIInChI=1S/C12H27NO3/c1-11(8-16-5)13(6-7-15-4)9-12(2,3)10-14/h11,14H,6-10H2,1-5H3
InChIKeyNIBQAKQISYRYLH-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.99
Rot. Bonds9

About 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol

3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 62266357) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID62266357
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCOCCN(CC(C)(C)CO)C(C)COC
InChIInChI=1S/C12H27NO3/c1-11(8-16-5)13(6-7-15-4)9-12(2,3)10-14/h11,14H,6-10H2,1-5H3
InChIKeyNIBQAKQISYRYLH-UHFFFAOYSA-N
XLogP0.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
CID 64827580
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825594
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 64825994
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62259831
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
2-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-1-ol
CID 64828099
4-[bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64826984

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol (CID 62266357) is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol is COCCN(CC(C)(C)CO)C(C)COC.
What is the InChIKey of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is NIBQAKQISYRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-11(8-16-5)13(6-7-15-4)9-12(2,3)10-14/h11,14H,6-10H2,1-5H3.
What are the key properties of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol?
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62266357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).