N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid

C19H42N2O5 — CID 171841426

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid
SMILESCC.CCC(C)(C)CC(C)(C)C(=O)O.NCCOCCOCCNC=O
InChIInChI=1S/C10H20O2.C7H16N2O3.C2H6/c1-6-9(2,3)7-10(4,5)8(11)12;8-1-3-11-5-6-12-4-2-9-7-10;1-2/h6-7H2,1-5H3,(H,11,12);7H,1-6,8H2,(H,9,10);1-2H3
InChIKeyZPDLAZVSMVMGFQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP2.67
Rot. Bonds13

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid (PubChem CID 171841426) has the molecular formula C19H42N2O5 and a molecular weight of 378.55 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid
PubChem CID171841426
Molecular FormulaC19H42N2O5
Molecular Weight378.55 g/mol
Exact Mass378.31
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid
SMILESCC.CCC(C)(C)CC(C)(C)C(=O)O.NCCOCCOCCNC=O
InChIInChI=1S/C10H20O2.C7H16N2O3.C2H6/c1-6-9(2,3)7-10(4,5)8(11)12;8-1-3-11-5-6-12-4-2-9-7-10;1-2/h6-7H2,1-5H3,(H,11,12);7H,1-6,8H2,(H,9,10);1-2H3
InChIKeyZPDLAZVSMVMGFQ-UHFFFAOYSA-N
XLogP2.67
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 177164366
2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166167995
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,4-dimethyl-3-oxopentanamide
CID 142404359
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
CID 176965805
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid (CID 171841426) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid is CC.CCC(C)(C)CC(C)(C)C(=O)O.NCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid?
The InChIKey is ZPDLAZVSMVMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C7H16N2O3.C2H6/c1-6-9(2,3)7-10(4,5)8(11)12;8-1-3-11-5-6-12-4-2-9-7-10;1-2/h6-7H2,1-5H3,(H,11,12);7H,1-6,8H2,(H,9,10);1-2H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid has a molecular weight of 378.55 g/mol, XLogP of 2.67, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid is sourced from PubChem (CID 171841426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).