(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine

C17H28N4 — CID 135160663

IUPAC(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine
SMILESC=NC(=C)C(=C(C)C)C(=N/CCCC/C=N/N)/C(C)=C\C
InChIInChI=1S/C17H28N4/c1-7-14(4)17(16(13(2)3)15(5)19-6)20-11-9-8-10-12-21-18/h7,12H,5-6,8-11,18H2,1-4H3/b14-7-,20-17+,21-12+
InChIKeyDVMBEZNDNNHPIJ-RQVIFLPPSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds9

About (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine

(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine (PubChem CID 135160663) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine.

Molecular Properties

Compound Name(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine
PubChem CID135160663
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine
SMILESC=NC(=C)C(=C(C)C)C(=N/CCCC/C=N/N)/C(C)=C\C
InChIInChI=1S/C17H28N4/c1-7-14(4)17(16(13(2)3)15(5)19-6)20-11-9-8-10-12-21-18/h7,12H,5-6,8-11,18H2,1-4H3/b14-7-,20-17+,21-12+
InChIKeyDVMBEZNDNNHPIJ-RQVIFLPPSA-N
XLogP4.06
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine?
The IUPAC name of (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine (CID 135160663) is (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine.
What is the SMILES notation for (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine?
The canonical SMILES for (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine is C=NC(=C)C(=C(C)C)C(=N/CCCC/C=N/N)/C(C)=C\C.
What is the InChIKey of (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine?
The InChIKey is DVMBEZNDNNHPIJ-RQVIFLPPSA-N. The full InChI is InChI=1S/C17H28N4/c1-7-14(4)17(16(13(2)3)15(5)19-6)20-11-9-8-10-12-21-18/h7,12H,5-6,8-11,18H2,1-4H3/b14-7-,20-17+,21-12+.
What are the key properties of (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine?
(5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine has a molecular weight of 288.44 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-N-[(5E)-5-hydrazinylidenepentyl]-5-methyl-2-N-methylidene-3-propan-2-ylidenehepta-1,5-diene-2,4-diimine is sourced from PubChem (CID 135160663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).