3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine

C13H27NO2 — CID 168752252

IUPAC3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)COCCOC1CC(NC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)9-15-5-6-16-13-7-12(8-13)14-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyPBZREJHUYKJNLM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds8

About 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine

3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 168752252) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine
PubChem CID168752252
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)COCCOC1CC(NC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-10(2)9-15-5-6-16-13-7-12(8-13)14-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyPBZREJHUYKJNLM-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.20
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

3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine
CID 103917820
3-ethoxy-N-(2-fluoroethyl)cyclobutan-1-amine
CID 105841914
N-(3-fluoropropyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 115973988
3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine
CID 59174831
3-[2-(3-methylbutoxy)ethoxy]-N-propan-2-ylpropan-1-amine
CID 62343207
2-methyl-N-[3-(2-propan-2-yloxyethoxy)propyl]propan-1-amine
CID 62455594
3-butoxy-N-ethylcyclobutan-1-amine
CID 66356657
3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine
CID 66356762
3-butoxy-N-methylcyclobutan-1-amine
CID 66356853
3-pentoxy-N-propylcyclobutan-1-amine
CID 66357060
3-(4-methylpentoxy)-N-propylcyclobutan-1-amine
CID 66357425
3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine
CID 66357625

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine (CID 168752252) is 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine is CC(C)COCCOC1CC(NC(C)C)C1.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is PBZREJHUYKJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)9-15-5-6-16-13-7-12(8-13)14-11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine?
3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 168752252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).