2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

C14H29NO2 — CID 104676190

IUPAC2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)CC(C)C)C1OCC
InChIInChI=1S/C14H29NO2/c1-6-15-12-9-13(14(12)16-7-2)17-11(5)8-10(3)4/h10-15H,6-9H2,1-5H3
InChIKeyJTAIPGKYPGGMQJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds8

About 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (PubChem CID 104676190) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
PubChem CID104676190
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)CC(C)C)C1OCC
InChIInChI=1S/C14H29NO2/c1-6-15-12-9-13(14(12)16-7-2)17-11(5)8-10(3)4/h10-15H,6-9H2,1-5H3
InChIKeyJTAIPGKYPGGMQJ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine
CID 138467402
3-[2-(2-methylpropoxy)ethoxy]-N-propan-2-ylcyclobutan-1-amine
CID 168752252
Ethane;2-propan-2-yl-1,4-dioxa-7-azacycloundecane
CID 170727815
trans-(1S,2S)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine
CID 170976556
trans-(1R,2R)-2-(2-methoxyethoxy)-N-methylcyclobutan-1-amine
CID 170976575
N-[(2S)-3-methylbutan-2-yl]-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 173767072
N-(1,4-dioxan-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61023429
N-(1,4-dioxan-2-ylmethyl)-2-methylpentan-3-amine
CID 61024597
N-(1,4-dioxan-2-ylmethyl)-4-methylpentan-2-amine
CID 61024859
3-(3-methylbutoxy)-N-propyloxan-4-amine
CID 61757039
N-ethyl-3-(3-methylbutoxy)oxan-4-amine
CID 61757229
3-(4-methylpentoxy)-N-propyloxan-4-amine
CID 61767591

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (CID 104676190) is 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is CCNC1CC(OC(C)CC(C)C)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The InChIKey is JTAIPGKYPGGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-15-12-9-13(14(12)16-7-2)17-11(5)8-10(3)4/h10-15H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 104676190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).