2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

C17H33N3O — CID 116726066

IUPAC2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H33N3O/c1-7-10-18-15(16(21-9-3)17(4,5)6)14-12-19-20(13-14)11-8-2/h12-13,15-16,18H,7-11H2,1-6H3
InChIKeyDXCJSZWPWWUICJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.79
Rot. Bonds9

About 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine

2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 116726066) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID116726066
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H33N3O/c1-7-10-18-15(16(21-9-3)17(4,5)6)14-12-19-20(13-14)11-8-2/h12-13,15-16,18H,7-11H2,1-6H3
InChIKeyDXCJSZWPWWUICJ-UHFFFAOYSA-N
XLogP3.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
[2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutyl]hydrazine
CID 105273722
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272379
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 116726100
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 116726066) is 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCNC(c1cnn(CCC)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is DXCJSZWPWWUICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-10-18-15(16(21-9-3)17(4,5)6)14-12-19-20(13-14)11-8-2/h12-13,15-16,18H,7-11H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 116726066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).