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

C13H25N3 — CID 115858037

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccnn1CC)C(C)(C)CC
InChIInChI=1S/C13H25N3/c1-6-13(4,5)12(14-7-2)11-9-10-15-16(11)8-3/h9-10,12,14H,6-8H2,1-5H3
InChIKeyCZOMMJFMLVFULD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds6

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

N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine (PubChem CID 115858037) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
PubChem CID115858037
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccnn1CC)C(C)(C)CC
InChIInChI=1S/C13H25N3/c1-6-13(4,5)12(14-7-2)11-9-10-15-16(11)8-3/h9-10,12,14H,6-8H2,1-5H3
InChIKeyCZOMMJFMLVFULD-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
CID 79061756
1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053218
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
N-[(4-tert-butylthiadiazol-5-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine (CID 115858037) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine is CCNC(c1ccnn1CC)C(C)(C)CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is CZOMMJFMLVFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-13(4,5)12(14-7-2)11-9-10-15-16(11)8-3/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 115858037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).