2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine

C14H25N3O — CID 116794315

IUPAC2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cnn(C)c2)C1(C)CC
InChIInChI=1S/C14H25N3O/c1-5-7-15-12-8-13(14(12,3)6-2)18-11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyRBVNGTOLNJOLRK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds6

About 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine

2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine (PubChem CID 116794315) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
PubChem CID116794315
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cnn(C)c2)C1(C)CC
InChIInChI=1S/C14H25N3O/c1-5-7-15-12-8-13(14(12,3)6-2)18-11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyRBVNGTOLNJOLRK-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)-N-propylcyclobutan-1-amine
CID 81418267
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
3-cyclopentyloxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356756
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)-N-propylcyclobutan-1-amine
CID 66359419
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352042

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine (CID 116794315) is 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cnn(C)c2)C1(C)CC.
What is the InChIKey of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine?
The InChIKey is RBVNGTOLNJOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-15-12-8-13(14(12,3)6-2)18-11-9-16-17(4)10-11/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine?
2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(1-methylpyrazol-4-yl)oxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 116794315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).