4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane

C30H60N6 — CID 170574356

IUPAC4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane
SMILESC/N=C/C(=C(/C)N)C(C)C.CC.CCC.CCc1c(C)cnn1CC.Cc1c(C(C)(C)C)cnn1C
InChIInChI=1S/C9H16N2.C8H14N2.C8H16N2.C3H8.C2H6/c1-7-8(9(2,3)4)6-10-11(7)5;1-4-8-7(3)6-9-10(8)5-2;1-6(2)8(5-10-4)7(3)9;1-3-2;1-2/h6H,1-5H3;6H,4-5H2,1-3H3;5-6H,9H2,1-4H3;3H2,1-2H3;1-2H3/b;;8-7+,10-5+;;
InChIKeyXWDHOJUEBRVZTH-YDZPJCPDSA-N
MW504.85 g/mol
LogP7.82
Rot. Bonds4

About 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane

4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane (PubChem CID 170574356) has the molecular formula C30H60N6 and a molecular weight of 504.85 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane
PubChem CID170574356
Molecular FormulaC30H60N6
Molecular Weight504.85 g/mol
Exact Mass504.49
IUPAC Name4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane
SMILESC/N=C/C(=C(/C)N)C(C)C.CC.CCC.CCc1c(C)cnn1CC.Cc1c(C(C)(C)C)cnn1C
InChIInChI=1S/C9H16N2.C8H14N2.C8H16N2.C3H8.C2H6/c1-7-8(9(2,3)4)6-10-11(7)5;1-4-8-7(3)6-9-10(8)5-2;1-6(2)8(5-10-4)7(3)9;1-3-2;1-2/h6H,1-5H3;6H,4-5H2,1-3H3;5-6H,9H2,1-4H3;3H2,1-2H3;1-2H3/b;;8-7+,10-5+;;
InChIKeyXWDHOJUEBRVZTH-YDZPJCPDSA-N
XLogP7.82
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
ethyl (2S)-2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoate
CID 129386918
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
4-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157500
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 106043175
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
CID 84770615
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
CID 122166019
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane?
The IUPAC name of 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane (CID 170574356) is 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane.
What is the SMILES notation for 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane?
The canonical SMILES for 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane is C/N=C/C(=C(/C)N)C(C)C.CC.CCC.CCc1c(C)cnn1CC.Cc1c(C(C)(C)C)cnn1C.
What is the InChIKey of 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane?
The InChIKey is XWDHOJUEBRVZTH-YDZPJCPDSA-N. The full InChI is InChI=1S/C9H16N2.C8H14N2.C8H16N2.C3H8.C2H6/c1-7-8(9(2,3)4)6-10-11(7)5;1-4-8-7(3)6-9-10(8)5-2;1-6(2)8(5-10-4)7(3)9;1-3-2;1-2/h6H,1-5H3;6H,4-5H2,1-3H3;5-6H,9H2,1-4H3;3H2,1-2H3;1-2H3/b;;8-7+,10-5+;;.
What are the key properties of 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane?
4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane has a molecular weight of 504.85 g/mol, XLogP of 7.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,5-dimethylpyrazole;1,5-diethyl-4-methylpyrazole;ethane;(Z)-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine;propane is sourced from PubChem (CID 170574356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).