2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol

C13H29NO — CID 62271654

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(C)N(CC)CC(CC)(CC)CO
InChIInChI=1S/C13H29NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h12,15H,6-11H2,1-5H3
InChIKeyUQCGNBPCJJWVKI-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.91
Rot. Bonds8

About 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol

2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 62271654) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID62271654
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(C)N(CC)CC(CC)(CC)CO
InChIInChI=1S/C13H29NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h12,15H,6-11H2,1-5H3
InChIKeyUQCGNBPCJJWVKI-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[ethyl(propan-2-yl)amino]methyl]butan-1-ol
CID 62270220
N-butan-2-yl-N'-tert-butyl-N,2,2-triethylpropane-1,3-diamine
CID 55194447
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
CID 62276772
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797656
2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
CID 62270584
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol (CID 62271654) is 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol is CCC(C)N(CC)CC(CC)(CC)CO.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is UQCGNBPCJJWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h12,15H,6-11H2,1-5H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 62271654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).