2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol

C12H28N2O — CID 104554726

IUPAC2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
SMILESCCNCC(C)(CC)CN(C)C(C)CO
InChIInChI=1S/C12H28N2O/c1-6-12(4,9-13-7-2)10-14(5)11(3)8-15/h11,13,15H,6-10H2,1-5H3
InChIKeyYOQWOQNMYVGRQF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds8

About 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol

2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol (PubChem CID 104554726) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
PubChem CID104554726
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol
SMILESCCNCC(C)(CC)CN(C)C(C)CO
InChIInChI=1S/C12H28N2O/c1-6-12(4,9-13-7-2)10-14(5)11(3)8-15/h11,13,15H,6-10H2,1-5H3
InChIKeyYOQWOQNMYVGRQF-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
N-[1-(dimethylamino)propan-2-yl]-N,N',2-triethyl-2-methylpropane-1,3-diamine
CID 103191319
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylbutanal
CID 104554515
N-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)-2-propylpropane-1,3-diamine
CID 62259004
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
CID 104554746
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
N,2-diethyl-2,4-dimethylhexan-1-amine
CID 62726078
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol (CID 104554726) is 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol is CCNCC(C)(CC)CN(C)C(C)CO.
What is the InChIKey of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol?
The InChIKey is YOQWOQNMYVGRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(4,9-13-7-2)10-14(5)11(3)8-15/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol?
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).