N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine

C14H25N3O2 — CID 107943876

IUPACN-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cnn(CC)c1
InChIInChI=1S/C14H25N3O2/c1-4-7-18-14-12(15-5-2)8-13(14)19-11-9-16-17(6-3)10-11/h9-10,12-15H,4-8H2,1-3H3
InChIKeyUGKCBSQYHZMHRV-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.83
Rot. Bonds8

About N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine

N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine (PubChem CID 107943876) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
PubChem CID107943876
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cnn(CC)c1
InChIInChI=1S/C14H25N3O2/c1-4-7-18-14-12(15-5-2)8-13(14)19-11-9-16-17(6-3)10-11/h9-10,12-15H,4-8H2,1-3H3
InChIKeyUGKCBSQYHZMHRV-UHFFFAOYSA-N
XLogP1.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine (CID 107943876) is N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1cnn(CC)c1.
What is the InChIKey of N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine?
The InChIKey is UGKCBSQYHZMHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-7-18-14-12(15-5-2)8-13(14)19-11-9-16-17(6-3)10-11/h9-10,12-15H,4-8H2,1-3H3.
What are the key properties of N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine?
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).