(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine

C13H29NO2 — CID 166829521

IUPAC(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
SMILESCC(C)CC(C)(C)OCC(C)OC[C@H](C)N
InChIInChI=1S/C13H29NO2/c1-10(2)7-13(5,6)16-9-12(4)15-8-11(3)14/h10-12H,7-9,14H2,1-6H3/t11-,12?/m0/s1
InChIKeyOVDDZLWFDFDFCI-PXYINDEMSA-N
MW231.38 g/mol
LogP2.58
Rot. Bonds8

About (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine

(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine (PubChem CID 166829521) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
PubChem CID166829521
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine
SMILESCC(C)CC(C)(C)OCC(C)OC[C@H](C)N
InChIInChI=1S/C13H29NO2/c1-10(2)7-13(5,6)16-9-12(4)15-8-11(3)14/h10-12H,7-9,14H2,1-6H3/t11-,12?/m0/s1
InChIKeyOVDDZLWFDFDFCI-PXYINDEMSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]-oxophosphanium
CID 123205024
2-[2-(2-aminopropoxy)propoxy]propan-1-amine
CID 14122882
1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
CID 170705015
2-[2-(2-aminopropoxy)propoxy]propan-1-amine;methane
CID 159510670
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
CID 167005628
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
1-[1-[2-(2-amino-2-chloroethoxy)ethoxy]propan-2-yloxy]propan-2-amine
CID 59972165
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
(2S)-1-(difluoromethoxy)propan-2-amine
CID 89421032

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine?
The IUPAC name of (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine (CID 166829521) is (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine?
The canonical SMILES for (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine is CC(C)CC(C)(C)OCC(C)OC[C@H](C)N.
What is the InChIKey of (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine?
The InChIKey is OVDDZLWFDFDFCI-PXYINDEMSA-N. The full InChI is InChI=1S/C13H29NO2/c1-10(2)7-13(5,6)16-9-12(4)15-8-11(3)14/h10-12H,7-9,14H2,1-6H3/t11-,12?/m0/s1.
What are the key properties of (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine?
(2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2,4-dimethylpentan-2-yloxy)propan-2-yloxy]propan-2-amine is sourced from PubChem (CID 166829521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).