1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine

C14H28N4 — CID 79064340

IUPAC1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCNC(c1ccnn1CC)C(C)(CC)N(C)C
InChIInChI=1S/C14H28N4/c1-7-14(4,17(5)6)13(15-8-2)12-10-11-16-18(12)9-3/h10-11,13,15H,7-9H2,1-6H3
InChIKeyXCODAOCTKQNOOT-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.28
Rot. Bonds7

About 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine

1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 79064340) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID79064340
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCNC(c1ccnn1CC)C(C)(CC)N(C)C
InChIInChI=1S/C14H28N4/c1-7-14(4,17(5)6)13(15-8-2)12-10-11-16-18(12)9-3/h10-11,13,15H,7-9H2,1-6H3
InChIKeyXCODAOCTKQNOOT-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
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
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
N-[(4-tert-butylthiadiazol-5-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148326
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064224

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 79064340) is 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine is CCNC(c1ccnn1CC)C(C)(CC)N(C)C.
What is the InChIKey of 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is XCODAOCTKQNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-14(4,17(5)6)13(15-8-2)12-10-11-16-18(12)9-3/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).