dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium

C13H29N2O3+ — CID 170612923

IUPACdimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
SMILESCC(C)CNC(=O)CCOCCOCC[NH+](C)C
InChIInChI=1S/C13H28N2O3/c1-12(2)11-14-13(16)5-7-17-9-10-18-8-6-15(3)4/h12H,5-11H2,1-4H3,(H,14,16)/p+1
InChIKeyRHPBPZWZEUSIGL-UHFFFAOYSA-O
MW261.39 g/mol
LogP-0.67
Rot. Bonds11

About dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium

dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium (PubChem CID 170612923) has the molecular formula C13H29N2O3+ and a molecular weight of 261.39 g/mol. Its IUPAC name is dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
PubChem CID170612923
Molecular FormulaC13H29N2O3+
Molecular Weight261.39 g/mol
Exact Mass261.22
IUPAC Namedimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
SMILESCC(C)CNC(=O)CCOCCOCC[NH+](C)C
InChIInChI=1S/C13H28N2O3/c1-12(2)11-14-13(16)5-7-17-9-10-18-8-6-15(3)4/h12H,5-11H2,1-4H3,(H,14,16)/p+1
InChIKeyRHPBPZWZEUSIGL-UHFFFAOYSA-O
XLogP-0.67
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
CID 170124015
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
ethane;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-(2-methylpropyl)acetamide
CID 153390370
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide
CID 170122633

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium?
The IUPAC name of dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium (CID 170612923) is dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium is CC(C)CNC(=O)CCOCCOCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium?
The InChIKey is RHPBPZWZEUSIGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H28N2O3/c1-12(2)11-14-13(16)5-7-17-9-10-18-8-6-15(3)4/h12H,5-11H2,1-4H3,(H,14,16)/p+1.
What are the key properties of dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium?
dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium has a molecular weight of 261.39 g/mol, XLogP of -0.67, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 170612923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).