2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine

C12H23N3O — CID 116758712

IUPAC2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-6-12(3,16-7-2)11(13-4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyCJUOVCRWNYWXGN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.89
Rot. Bonds6

About 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine

2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 116758712) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID116758712
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-6-12(3,16-7-2)11(13-4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyCJUOVCRWNYWXGN-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116715354
N,2-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 43485884
N,N-diethyl-1-hydrazinyl-2-methyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 105239216
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine (CID 116758712) is 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine is CCOC(C)(CC)C(NC)c1cnn(C)c1.
What is the InChIKey of 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is CJUOVCRWNYWXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-12(3,16-7-2)11(13-4)10-8-14-15(5)9-10/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine?
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 116758712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).