(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal

C15H30N4O3 — CID 143527571

IUPAC(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
SMILESC/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC=O)=N/O
InChIInChI=1S/C15H30N4O3/c1-12(18-21)14(2,3)16-9-7-10-17-15(4,5)13(19-22)8-6-11-20/h11,16-17,21-22H,6-10H2,1-5H3/b18-12+,19-13+
InChIKeyZYZRNNDVOGMUNG-KLCVKJMQSA-N
MW314.43 g/mol
LogP1.77
Rot. Bonds11

About (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal

(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal (PubChem CID 143527571) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
PubChem CID143527571
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal
SMILESC/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC=O)=N/O
InChIInChI=1S/C15H30N4O3/c1-12(18-21)14(2,3)16-9-7-10-17-15(4,5)13(19-22)8-6-11-20/h11,16-17,21-22H,6-10H2,1-5H3/b18-12+,19-13+
InChIKeyZYZRNNDVOGMUNG-KLCVKJMQSA-N
XLogP1.77
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal?
The IUPAC name of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal (CID 143527571) is (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal.
What is the SMILES notation for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal?
The canonical SMILES for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal is C/C(=N\O)C(C)(C)NCCCNC(C)(C)/C(CCC=O)=N/O.
What is the InChIKey of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal?
The InChIKey is ZYZRNNDVOGMUNG-KLCVKJMQSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-12(18-21)14(2,3)16-9-7-10-17-15(4,5)13(19-22)8-6-11-20/h11,16-17,21-22H,6-10H2,1-5H3/b18-12+,19-13+.
What are the key properties of (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal?
(4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal has a molecular weight of 314.43 g/mol, XLogP of 1.77, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-5-[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propylamino]-5-methylhexanal is sourced from PubChem (CID 143527571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).