2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

C11H21N3 — CID 103014422

IUPAC2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCC(C)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-11(2,9-12)6-5-10-7-13-14(3)8-10/h7-8H,4-6,9,12H2,1-3H3
InChIKeyUTRHYVGNVSMPRT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014422) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014422
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCC(C)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-11(2,9-12)6-5-10-7-13-14(3)8-10/h7-8H,4-6,9,12H2,1-3H3
InChIKeyUTRHYVGNVSMPRT-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103007100
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-propylpyrazole;propane
CID 155742221
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 112566058
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014422) is 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is CCC(C)(CN)CCc1cnn(C)c1.
What is the InChIKey of 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is UTRHYVGNVSMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(2,9-12)6-5-10-7-13-14(3)8-10/h7-8H,4-6,9,12H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).