N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide

C12H25N3O2 — CID 6806051

IUPACN-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
SMILESCCCCCCN(C)CCCNC(=O)C=NO
InChIInChI=1S/C12H25N3O2/c1-3-4-5-6-9-15(2)10-7-8-13-12(16)11-14-17/h11,17H,3-10H2,1-2H3,(H,13,16)
InChIKeyQDMOSUDHYLSPFA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.46
Rot. Bonds10

About N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide

N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide (PubChem CID 6806051) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound NameN-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
PubChem CID6806051
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
SMILESCCCCCCN(C)CCCNC(=O)C=NO
InChIInChI=1S/C12H25N3O2/c1-3-4-5-6-9-15(2)10-7-8-13-12(16)11-14-17/h11,17H,3-10H2,1-2H3,(H,13,16)
InChIKeyQDMOSUDHYLSPFA-UHFFFAOYSA-N
XLogP1.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
CID 101389014
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509

Frequently Asked Questions

What is the IUPAC name of N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide?
The IUPAC name of N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide (CID 6806051) is N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide is CCCCCCN(C)CCCNC(=O)C=NO.
What is the InChIKey of N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide?
The InChIKey is QDMOSUDHYLSPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-4-5-6-9-15(2)10-7-8-13-12(16)11-14-17/h11,17H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide?
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide has a molecular weight of 243.35 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 6806051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).