3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine

C13H27NO — CID 106206190

IUPAC3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCC1CCC1
InChIInChI=1S/C13H27NO/c1-4-14-10-13(2,3)11-15-9-8-12-6-5-7-12/h12,14H,4-11H2,1-3H3
InChIKeyQIOYCUWOOBYMMN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds8

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

3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 106206190) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID106206190
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COCCC1CCC1
InChIInChI=1S/C13H27NO/c1-4-14-10-13(2,3)11-15-9-8-12-6-5-7-12/h12,14H,4-11H2,1-3H3
InChIKeyQIOYCUWOOBYMMN-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 106205944
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627569
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
CID 106201186
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
N-[2-(2-cyclobutylethoxy)ethyl]-2-methylpropan-1-amine
CID 106205978
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
3-(2-cyclobutylethoxy)propanal
CID 106203331

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine (CID 106206190) is 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is QIOYCUWOOBYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-10-13(2,3)11-15-9-8-12-6-5-7-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 106206190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).