2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine

C16H31N3O — CID 116725959

IUPAC2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-7-10-17-14(13-11-18-19(8-2)12-13)15(20-9-3)16(4,5)6/h11-12,14-15,17H,7-10H2,1-6H3
InChIKeyVKUBJIOETBDMJF-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.39
Rot. Bonds8

About 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine

2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 116725959) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID116725959
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-7-10-17-14(13-11-18-19(8-2)12-13)15(20-9-3)16(4,5)6/h11-12,14-15,17H,7-10H2,1-6H3
InChIKeyVKUBJIOETBDMJF-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
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
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
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
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 116726746
1-(4-bromothiophen-3-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116726083
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine (CID 116725959) is 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1cnn(CC)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is VKUBJIOETBDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-10-17-14(13-11-18-19(8-2)12-13)15(20-9-3)16(4,5)6/h11-12,14-15,17H,7-10H2,1-6H3.
What are the key properties of 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine?
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116725959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).