5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium

C9H19N2O+ — CID 153498626

IUPAC5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium
SMILESCC(=O)N[13CH2][13CH2][13CH2]CC=[N+](C)C
InChIInChI=1S/C9H18N2O/c1-9(12)10-7-5-4-6-8-11(2)3/h8H,4-7H2,1-3H3/p+1/i4+1,5+1,7+1
InChIKeyBMIFCDLDYUQBKO-WXOWWYAKSA-O
MW174.24 g/mol
LogP0.64
Rot. Bonds5

About 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium

5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium (PubChem CID 153498626) has the molecular formula C9H19N2O+ and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium.

Molecular Properties

Compound Name5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium
PubChem CID153498626
Molecular FormulaC9H19N2O+
Molecular Weight174.24 g/mol
Exact Mass174.16
IUPAC Name5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium
SMILESCC(=O)N[13CH2][13CH2][13CH2]CC=[N+](C)C
InChIInChI=1S/C9H18N2O/c1-9(12)10-7-5-4-6-8-11(2)3/h8H,4-7H2,1-3H3/p+1/i4+1,5+1,7+1
InChIKeyBMIFCDLDYUQBKO-WXOWWYAKSA-O
XLogP0.64
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
N-(5-(113C)methyliminopentyl)acetamide
CID 135251333
N-(5-(113C)methyliminopentyl)acetamide
CID 135251398
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-(5-cyclohexylidenepentyl)acetamide
CID 154717790
N-(8-oxononyl)acetamide
CID 58114719
5-acetamido-N-ethylpentanamide
CID 145189248
CID 59075972
CID 59075972

Frequently Asked Questions

What is the IUPAC name of 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium?
The IUPAC name of 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium (CID 153498626) is 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium.
What is the SMILES notation for 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium?
The canonical SMILES for 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium is CC(=O)N[13CH2][13CH2][13CH2]CC=[N+](C)C.
What is the InChIKey of 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium?
The InChIKey is BMIFCDLDYUQBKO-WXOWWYAKSA-O. The full InChI is InChI=1S/C9H18N2O/c1-9(12)10-7-5-4-6-8-11(2)3/h8H,4-7H2,1-3H3/p+1/i4+1,5+1,7+1.
What are the key properties of 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium?
5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium has a molecular weight of 174.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium is sourced from PubChem (CID 153498626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).