1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol

C14H29NO2 — CID 113497546

IUPAC1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
SMILESCCOC1CC(NCCC(O)CC)C1(C)CC
InChIInChI=1S/C14H29NO2/c1-5-11(16)8-9-15-12-10-13(17-7-3)14(12,4)6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyGJEZGZHGMLQQLS-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol

1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol (PubChem CID 113497546) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
PubChem CID113497546
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
SMILESCCOC1CC(NCCC(O)CC)C1(C)CC
InChIInChI=1S/C14H29NO2/c1-5-11(16)8-9-15-12-10-13(17-7-3)14(12,4)6-2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyGJEZGZHGMLQQLS-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
CID 106245384
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 106289842
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-ethoxy-2-ethyl-N-hexan-3-yl-2-methylcyclobutan-1-amine
CID 65169181
N-[2-(azepan-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167643
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol?
The IUPAC name of 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol (CID 113497546) is 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol is CCOC1CC(NCCC(O)CC)C1(C)CC.
What is the InChIKey of 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol?
The InChIKey is GJEZGZHGMLQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-11(16)8-9-15-12-10-13(17-7-3)14(12,4)6-2/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol?
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol is sourced from PubChem (CID 113497546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).