N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide

C17H29N3O3 — CID 44506958

IUPACN'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide
SMILESCC1=C(C/C=N/NC(=O)CCCCC(=O)NO)C(C)(C)CCC1
InChIInChI=1S/C17H29N3O3/c1-13-7-6-11-17(2,3)14(13)10-12-18-19-15(21)8-4-5-9-16(22)20-23/h12,23H,4-11H2,1-3H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyLIVPPMZDRJWRRC-LDADJPATSA-N
MW323.44 g/mol
LogP3.07
Rot. Bonds8

About N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide

N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide (PubChem CID 44506958) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide
PubChem CID44506958
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide
SMILESCC1=C(C/C=N/NC(=O)CCCCC(=O)NO)C(C)(C)CCC1
InChIInChI=1S/C17H29N3O3/c1-13-7-6-11-17(2,3)14(13)10-12-18-19-15(21)8-4-5-9-16(22)20-23/h12,23H,4-11H2,1-3H3,(H,19,21)(H,20,22)/b18-12+
InChIKeyLIVPPMZDRJWRRC-LDADJPATSA-N
XLogP3.07
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44506967
N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
CID 44507345
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507761
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507762
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]heptanediamide
CID 44507880
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-N'-hydroxyhexanediamide
CID 44634710
5-ethyl-N-hydroxy-2-methyl-N'-[(E)-propylideneamino]hexanediamide;1,2,3,3-tetramethylcyclohexene
CID 144020556

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide (CID 44506958) is N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide is CC1=C(C/C=N/NC(=O)CCCCC(=O)NO)C(C)(C)CCC1.
What is the InChIKey of N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide?
The InChIKey is LIVPPMZDRJWRRC-LDADJPATSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-7-6-11-17(2,3)14(13)10-12-18-19-15(21)8-4-5-9-16(22)20-23/h12,23H,4-11H2,1-3H3,(H,19,21)(H,20,22)/b18-12+.
What are the key properties of N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide?
N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide has a molecular weight of 323.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide is sourced from PubChem (CID 44506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).