N-(5-(113C)methyliminopentyl)acetamide

C8H16N2O — CID 135251333

IUPACN-(5-(113C)methyliminopentyl)acetamide
SMILESCC(=O)NCCCC/C=N/[13CH3]
InChIInChI=1S/C8H16N2O/c1-8(11)10-7-5-3-4-6-9-2/h6H,3-5,7H2,1-2H3,(H,10,11)/b9-6+/i2+1
InChIKeyKOMZZEHFDNKHNK-HWQADLGMSA-N
MW157.22 g/mol
LogP0.99
Rot. Bonds5

About N-(5-(113C)methyliminopentyl)acetamide

N-(5-(113C)methyliminopentyl)acetamide (PubChem CID 135251333) has the molecular formula C8H16N2O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-(5-(113C)methyliminopentyl)acetamide.

Molecular Properties

Compound NameN-(5-(113C)methyliminopentyl)acetamide
PubChem CID135251333
Molecular FormulaC8H16N2O
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC NameN-(5-(113C)methyliminopentyl)acetamide
SMILESCC(=O)NCCCC/C=N/[13CH3]
InChIInChI=1S/C8H16N2O/c1-8(11)10-7-5-3-4-6-9-2/h6H,3-5,7H2,1-2H3,(H,10,11)/b9-6+/i2+1
InChIKeyKOMZZEHFDNKHNK-HWQADLGMSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-(113C)methyliminopentyl)acetamide
CID 135251398
N-(3-acetamidopropyl)acetamide
CID 5147555
5-acetamido(3,4,5-13C3)pentylidene(dimethyl)azanium
CID 153498626
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
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 N-(5-(113C)methyliminopentyl)acetamide?
The IUPAC name of N-(5-(113C)methyliminopentyl)acetamide (CID 135251333) is N-(5-(113C)methyliminopentyl)acetamide.
What is the SMILES notation for N-(5-(113C)methyliminopentyl)acetamide?
The canonical SMILES for N-(5-(113C)methyliminopentyl)acetamide is CC(=O)NCCCC/C=N/[13CH3].
What is the InChIKey of N-(5-(113C)methyliminopentyl)acetamide?
The InChIKey is KOMZZEHFDNKHNK-HWQADLGMSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)10-7-5-3-4-6-9-2/h6H,3-5,7H2,1-2H3,(H,10,11)/b9-6+/i2+1.
What are the key properties of N-(5-(113C)methyliminopentyl)acetamide?
N-(5-(113C)methyliminopentyl)acetamide has a molecular weight of 157.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-(113C)methyliminopentyl)acetamide is sourced from PubChem (CID 135251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).