4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol

C12H27NO2 — CID 82953026

IUPAC4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCOCCN(CC(C)(C)C(C)O)C(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)13(7-8-15-6)9-12(4,5)11(3)14/h10-11,14H,7-9H2,1-6H3
InChIKeyLJHIJWWMUSNUDG-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.75
Rot. Bonds7

About 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol

4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol (PubChem CID 82953026) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
PubChem CID82953026
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCOCCN(CC(C)(C)C(C)O)C(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)13(7-8-15-6)9-12(4,5)11(3)14/h10-11,14H,7-9H2,1-6H3
InChIKeyLJHIJWWMUSNUDG-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-ol
CID 66452834
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 82951758
4-[2-methoxyethyl(propan-2-yl)amino]butan-2-ol
CID 82961213
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82951944
1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol
CID 82960184
N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 82953405
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2,2-dimethylbutane-1,3-diamine
CID 66453433
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol (CID 82953026) is 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol is COCCN(CC(C)(C)C(C)O)C(C)C.
What is the InChIKey of 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol?
The InChIKey is LJHIJWWMUSNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)13(7-8-15-6)9-12(4,5)11(3)14/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol?
4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propan-2-yl)amino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 82953026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).