3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal

C16H36N2O3 — CID 145317497

IUPAC3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
SMILESCCC=O.CNCCC(C)(C)OCCC(C)(C)OCCN
InChIInChI=1S/C13H30N2O2.C3H6O/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14;1-2-3-4/h15H,6-11,14H2,1-5H3;3H,2H2,1H3
InChIKeyPZQFIMMXVLLRLD-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.13
Rot. Bonds11

About 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal

3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal (PubChem CID 145317497) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
PubChem CID145317497
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Name3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
SMILESCCC=O.CNCCC(C)(C)OCCC(C)(C)OCCN
InChIInChI=1S/C13H30N2O2.C3H6O/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14;1-2-3-4/h15H,6-11,14H2,1-5H3;3H,2H2,1H3
InChIKeyPZQFIMMXVLLRLD-UHFFFAOYSA-N
XLogP2.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropan-1-ol
CID 142624921
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
4-[3-methyl-3-[2-[2-methyl-4-(methylamino)butan-2-yl]oxyethoxy]butoxy]butan-2-one
CID 88565171

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal?
The IUPAC name of 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal (CID 145317497) is 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal.
What is the SMILES notation for 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal?
The canonical SMILES for 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal is CCC=O.CNCCC(C)(C)OCCC(C)(C)OCCN.
What is the InChIKey of 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal?
The InChIKey is PZQFIMMXVLLRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2.C3H6O/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14;1-2-3-4/h15H,6-11,14H2,1-5H3;3H,2H2,1H3.
What are the key properties of 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal?
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal has a molecular weight of 304.48 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal is sourced from PubChem (CID 145317497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).