N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine

C14H27N3O — CID 114197724

IUPACN-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccnn1C(C)C)C(OC)C(C)C
InChIInChI=1S/C14H27N3O/c1-7-15-13(14(18-6)10(2)3)12-8-9-16-17(12)11(4)5/h8-11,13-15H,7H2,1-6H3
InChIKeyWUXOADWLVSTLHK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.79
Rot. Bonds7

About N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine (PubChem CID 114197724) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
PubChem CID114197724
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccnn1C(C)C)C(OC)C(C)C
InChIInChI=1S/C14H27N3O/c1-7-15-13(14(18-6)10(2)3)12-8-9-16-17(12)11(4)5/h8-11,13-15H,7H2,1-6H3
InChIKeyWUXOADWLVSTLHK-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-[(3-methylfuran-2-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197719
5-(1-chloro-2-methylpropyl)-1-propan-2-ylpyrazole
CID 130480114
N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
3-methoxy-1-(2-propan-2-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 114197636
N-[(1-methylpyrazol-3-yl)-(2-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 114197664
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 116720426
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 83388208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine (CID 114197724) is N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine is CCNC(c1ccnn1C(C)C)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine?
The InChIKey is WUXOADWLVSTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-15-13(14(18-6)10(2)3)12-8-9-16-17(12)11(4)5/h8-11,13-15H,7H2,1-6H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(2-propan-2-ylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 114197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).