1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol

C12H28N2O — CID 103190449

IUPAC1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
SMILESCCN(CC(C)(O)CC)C(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-7-12(4,15)10-14(8-2)11(3)9-13(5)6/h11,15H,7-10H2,1-6H3
InChIKeyHIMLCSAVYFGQNA-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.42
Rot. Bonds7

About 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol

1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol (PubChem CID 103190449) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
PubChem CID103190449
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
SMILESCCN(CC(C)(O)CC)C(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-7-12(4,15)10-14(8-2)11(3)9-13(5)6/h11,15H,7-10H2,1-6H3
InChIKeyHIMLCSAVYFGQNA-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)propan-2-yl-ethylamino]-2,3-dimethylbutan-2-ol
CID 103190439
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
CID 103190936
N-[1-(dimethylamino)propan-2-yl]-N,N',2-triethyl-2-methylpropane-1,3-diamine
CID 103191319
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103190875
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
CID 103192144
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 103191300
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 103190949
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
3-[(2-hydroxy-2-methylbutyl)-methylamino]-2-methylpropanenitrile
CID 114493790
2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
CID 103189022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol (CID 103190449) is 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol is CCN(CC(C)(O)CC)C(C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol?
The InChIKey is HIMLCSAVYFGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-12(4,15)10-14(8-2)11(3)9-13(5)6/h11,15H,7-10H2,1-6H3.
What are the key properties of 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol?
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 103190449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).