1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine

C17H28N4 — CID 129195825

IUPAC1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine
SMILESC=C/C(=N\C(=C\C(C)(C)C)CC)n1ccc(NC(C)C)n1
InChIInChI=1S/C17H28N4/c1-8-14(12-17(5,6)7)19-16(9-2)21-11-10-15(20-21)18-13(3)4/h9-13H,2,8H2,1,3-7H3,(H,18,20)/b14-12+,19-16+
InChIKeyKXWGGVFLEORFSB-AIFHPCJLSA-N
MW288.44 g/mol
LogP4.48
Rot. Bonds5

About 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine

1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 129195825) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine
PubChem CID129195825
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine
SMILESC=C/C(=N\C(=C\C(C)(C)C)CC)n1ccc(NC(C)C)n1
InChIInChI=1S/C17H28N4/c1-8-14(12-17(5,6)7)19-16(9-2)21-11-10-15(20-21)18-13(3)4/h9-13H,2,8H2,1,3-7H3,(H,18,20)/b14-12+,19-16+
InChIKeyKXWGGVFLEORFSB-AIFHPCJLSA-N
XLogP4.48
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine (CID 129195825) is 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine is C=C/C(=N\C(=C\C(C)(C)C)CC)n1ccc(NC(C)C)n1.
What is the InChIKey of 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is KXWGGVFLEORFSB-AIFHPCJLSA-N. The full InChI is InChI=1S/C17H28N4/c1-8-14(12-17(5,6)7)19-16(9-2)21-11-10-15(20-21)18-13(3)4/h9-13H,2,8H2,1,3-7H3,(H,18,20)/b14-12+,19-16+.
What are the key properties of 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine?
1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 288.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 129195825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).