N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide

C13H27N3O2 — CID 77069088

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CCC(N)=NO
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-13(17)16(2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyOBKZXRNCWCXMAN-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.33
Rot. Bonds10

About N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide

N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide (PubChem CID 77069088) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
PubChem CID77069088
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CCC(N)=NO
InChIInChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-13(17)16(2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyOBKZXRNCWCXMAN-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.33
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-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
CID 88685642
CID 88685642

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide (CID 77069088) is N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide is CCCCCCCCC(=O)N(C)CCC(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide?
The InChIKey is OBKZXRNCWCXMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-4-5-6-7-8-9-13(17)16(2)11-10-12(14)15-18/h18H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide has a molecular weight of 257.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide is sourced from PubChem (CID 77069088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).