N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide

C16H29N3O3 — CID 44507761

IUPACN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCC(=O)NO
InChIInChI=1S/C16H29N3O3/c1-13(2)7-6-8-14(3)11-12-17-18-15(20)9-4-5-10-16(21)19-22/h7,12,14,22H,4-6,8-11H2,1-3H3,(H,18,20)(H,19,21)/b17-12+/t14-/m1/s1
InChIKeyHRYAAVYGFUAJFF-RFRKOGIWSA-N
MW311.43 g/mol
LogP2.93
Rot. Bonds11

About N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide

N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide (PubChem CID 44507761) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
PubChem CID44507761
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
SMILESCC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCC(=O)NO
InChIInChI=1S/C16H29N3O3/c1-13(2)7-6-8-14(3)11-12-17-18-15(20)9-4-5-10-16(21)19-22/h7,12,14,22H,4-6,8-11H2,1-3H3,(H,18,20)(H,19,21)/b17-12+/t14-/m1/s1
InChIKeyHRYAAVYGFUAJFF-RFRKOGIWSA-N
XLogP2.93
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide (CID 44507761) is N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide is CC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCC(=O)NO.
What is the InChIKey of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide?
The InChIKey is HRYAAVYGFUAJFF-RFRKOGIWSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)7-6-8-14(3)11-12-17-18-15(20)9-4-5-10-16(21)19-22/h7,12,14,22H,4-6,8-11H2,1-3H3,(H,18,20)(H,19,21)/b17-12+/t14-/m1/s1.
What are the key properties of N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide?
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide has a molecular weight of 311.43 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide is sourced from PubChem (CID 44507761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).