2-ethyl-2-(2-ethylbutylamino)butan-1-ol

C12H27NO — CID 62517481

IUPAC2-ethyl-2-(2-ethylbutylamino)butan-1-ol
SMILESCCC(CC)CNC(CC)(CC)CO
InChIInChI=1S/C12H27NO/c1-5-11(6-2)9-13-12(7-3,8-4)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeyHMYAIFGQAVNZRH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds8

About 2-ethyl-2-(2-ethylbutylamino)butan-1-ol

2-ethyl-2-(2-ethylbutylamino)butan-1-ol (PubChem CID 62517481) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethylbutylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-ethylbutylamino)butan-1-ol
PubChem CID62517481
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethyl-2-(2-ethylbutylamino)butan-1-ol
SMILESCCC(CC)CNC(CC)(CC)CO
InChIInChI=1S/C12H27NO/c1-5-11(6-2)9-13-12(7-3,8-4)10-14/h11,13-14H,5-10H2,1-4H3
InChIKeyHMYAIFGQAVNZRH-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethylamino)-2-ethylbutan-1-ol
CID 62518519
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968
2-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517803
ethyl 3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanoate
CID 62517964
2-amino-3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoic acid
CID 107866370
2-ethyl-2-(prop-2-ynylamino)butan-1-ol
CID 62517969
2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675
methyl 2-bromo-3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107866398
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
2-ethyl-2-(2-methylsulfanylethylamino)butan-1-ol
CID 115648487

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-ethylbutylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-ethylbutylamino)butan-1-ol (CID 62517481) is 2-ethyl-2-(2-ethylbutylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-ethylbutylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-ethylbutylamino)butan-1-ol is CCC(CC)CNC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-(2-ethylbutylamino)butan-1-ol?
The InChIKey is HMYAIFGQAVNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-11(6-2)9-13-12(7-3,8-4)10-14/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-2-(2-ethylbutylamino)butan-1-ol?
2-ethyl-2-(2-ethylbutylamino)butan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethylbutylamino)butan-1-ol is sourced from PubChem (CID 62517481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).