(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene

C14H25N3 — CID 126633518

IUPAC(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene
SMILESC=C/C(C)=C\NNN/C(=C/C/C(C)=C\C)CC
InChIInChI=1S/C14H25N3/c1-6-12(4)9-10-14(8-3)16-17-15-11-13(5)7-2/h6-7,10-11,15-17H,2,8-9H2,1,3-5H3/b12-6-,13-11-,14-10+
InChIKeyDCLAEUSOQVHANT-OLRXCLAHSA-N
MW235.37 g/mol
LogP3.33
Rot. Bonds8

About (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene

(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene (PubChem CID 126633518) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene.

Molecular Properties

Compound Name(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene
PubChem CID126633518
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene
SMILESC=C/C(C)=C\NNN/C(=C/C/C(C)=C\C)CC
InChIInChI=1S/C14H25N3/c1-6-12(4)9-10-14(8-3)16-17-15-11-13(5)7-2/h6-7,10-11,15-17H,2,8-9H2,1,3-5H3/b12-6-,13-11-,14-10+
InChIKeyDCLAEUSOQVHANT-OLRXCLAHSA-N
XLogP3.33
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene?
The IUPAC name of (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene (CID 126633518) is (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene.
What is the SMILES notation for (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene?
The canonical SMILES for (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene is C=C/C(C)=C\NNN/C(=C/C/C(C)=C\C)CC.
What is the InChIKey of (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene?
The InChIKey is DCLAEUSOQVHANT-OLRXCLAHSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-12(4)9-10-14(8-3)16-17-15-11-13(5)7-2/h6-7,10-11,15-17H,2,8-9H2,1,3-5H3/b12-6-,13-11-,14-10+.
What are the key properties of (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene?
(2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene has a molecular weight of 235.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-methyl-6-[2-[[(1Z)-2-methylbuta-1,3-dienyl]amino]hydrazinyl]octa-2,5-diene is sourced from PubChem (CID 126633518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).