N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine

C13H25N3 — CID 62126621

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cnn(CC)c1)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-12(13(3,4)5)8-11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyKFBAWYMEEJRJOU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine (PubChem CID 62126621) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
PubChem CID62126621
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
SMILESCCNC(Cc1cnn(CC)c1)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-14-12(13(3,4)5)8-11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyKFBAWYMEEJRJOU-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine (CID 62126621) is N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine is CCNC(Cc1cnn(CC)c1)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is KFBAWYMEEJRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-14-12(13(3,4)5)8-11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62126621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).