N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide

C10H21N3O2 — CID 76928101

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-5-6-7-9(14)13(3)8(2)10(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyFAWOYAMTQHOWLC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.16
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide (PubChem CID 76928101) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
PubChem CID76928101
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-5-6-7-9(14)13(3)8(2)10(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyFAWOYAMTQHOWLC-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
bis[[(2S)-2-[methyl(octadecanoyl)amino]propanoyl]oxy]alumanyl (2S)-2-[methyl(octadecanoyl)amino]propanoate
CID 139835757
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide (CID 76928101) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide is CCCCCC(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide?
The InChIKey is FAWOYAMTQHOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-5-6-7-9(14)13(3)8(2)10(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide has a molecular weight of 215.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide is sourced from PubChem (CID 76928101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).