1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol

C12H28N2O — CID 62337356

IUPAC1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
SMILESCCCC(C)(CNC)CN(C)CC(C)O
InChIInChI=1S/C12H28N2O/c1-6-7-12(3,9-13-4)10-14(5)8-11(2)15/h11,13,15H,6-10H2,1-5H3
InChIKeyNERBTDABYCZHLI-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds8

About 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol

1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol (PubChem CID 62337356) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
PubChem CID62337356
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
SMILESCCCC(C)(CNC)CN(C)CC(C)O
InChIInChI=1S/C12H28N2O/c1-6-7-12(3,9-13-4)10-14(5)8-11(2)15/h11,13,15H,6-10H2,1-5H3
InChIKeyNERBTDABYCZHLI-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

1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 103191300
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
N,2-dimethyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259022
N,N',2-trimethyl-N'-(2-methylsulfanylethyl)-2-propylpropane-1,3-diamine
CID 112664642
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
CID 55194829
2-methyl-2-[[methyl(2-methylpropyl)amino]methyl]pentan-1-ol
CID 62271469
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
2-[[2-methyl-2-(methylaminomethyl)pentyl]-propylamino]ethanol
CID 62260772
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol (CID 62337356) is 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol is CCCC(C)(CNC)CN(C)CC(C)O.
What is the InChIKey of 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol?
The InChIKey is NERBTDABYCZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-7-12(3,9-13-4)10-14(5)8-11(2)15/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol?
1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-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 1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol is sourced from PubChem (CID 62337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).