2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol

C12H28N2O — CID 104554609

IUPAC2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
SMILESCNC(CCN(C)C(C)CO)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(9-15)14(6)8-7-11(13-5)12(2,3)4/h10-11,13,15H,7-9H2,1-6H3
InChIKeyIOOYOUJAJRSRMR-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds6

About 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol

2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol (PubChem CID 104554609) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
PubChem CID104554609
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
SMILESCNC(CCN(C)C(C)CO)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(9-15)14(6)8-7-11(13-5)12(2,3)4/h10-11,13,15H,7-9H2,1-6H3
InChIKeyIOOYOUJAJRSRMR-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
(3S)-N,2,2-trimethylhexan-3-amine
CID 155282870
2-[[2,2-dimethyl-3-(methylamino)butyl]-methylamino]propan-1-ol
CID 104554746
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
1-N-cyclopentyl-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
CID 62624952
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
CID 115876449
2-[benzyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
CID 62624616
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752

Frequently Asked Questions

What is the IUPAC name of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol (CID 104554609) is 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol is CNC(CCN(C)C(C)CO)C(C)(C)C.
What is the InChIKey of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol?
The InChIKey is IOOYOUJAJRSRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(9-15)14(6)8-7-11(13-5)12(2,3)4/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol?
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).