N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

C13H29NO2 — CID 106667698

IUPACN-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-7-14-10-12(2,3)11-16-9-8-13(4,5)15-6/h14H,7-11H2,1-6H3
InChIKeyNWDCLDCJFFNEHD-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (PubChem CID 106667698) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
PubChem CID106667698
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-7-14-10-12(2,3)11-16-9-8-13(4,5)15-6/h14H,7-11H2,1-6H3
InChIKeyNWDCLDCJFFNEHD-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667762
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627569
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
N-ethyl-3-(1-methoxy-2-methylpropan-2-yl)oxy-2,2-dimethylpropan-1-amine
CID 142553849
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (CID 106667698) is N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COCCC(C)(C)OC.
What is the InChIKey of N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is NWDCLDCJFFNEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-14-10-12(2,3)11-16-9-8-13(4,5)15-6/h14H,7-11H2,1-6H3.
What are the key properties of N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 106667698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).