(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one

C14H20N2O2 — CID 6405380

IUPAC(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
SMILESCN(CCCCC(=O)/C=N\O)Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-16(12-13-7-3-2-4-8-13)10-6-5-9-14(17)11-15-18/h2-4,7-8,11,18H,5-6,9-10,12H2,1H3/b15-11-
InChIKeyJRHGCOJEYPIXNR-PTNGSMBKSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds8

About (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one

(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one (PubChem CID 6405380) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one.

Molecular Properties

Compound Name(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
PubChem CID6405380
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
SMILESCN(CCCCC(=O)/C=N\O)Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-16(12-13-7-3-2-4-8-13)10-6-5-9-14(17)11-15-18/h2-4,7-8,11,18H,5-6,9-10,12H2,1H3/b15-11-
InChIKeyJRHGCOJEYPIXNR-PTNGSMBKSA-N
XLogP2.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
CID 82042587
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943

Frequently Asked Questions

What is the IUPAC name of (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one?
The IUPAC name of (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one (CID 6405380) is (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one.
What is the SMILES notation for (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one?
The canonical SMILES for (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one is CN(CCCCC(=O)/C=N\O)Cc1ccccc1.
What is the InChIKey of (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one?
The InChIKey is JRHGCOJEYPIXNR-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(12-13-7-3-2-4-8-13)10-6-5-9-14(17)11-15-18/h2-4,7-8,11,18H,5-6,9-10,12H2,1H3/b15-11-.
What are the key properties of (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one?
(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one is sourced from PubChem (CID 6405380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).