CID 88757544

C7H14NOSn — CID 88757544

IUPAC—
SMILESCCCCCC(=O)NC[Sn]
InChIInChI=1S/C7H14NO.Sn/c1-3-4-5-6-7(9)8-2;/h2-6H2,1H3,(H,8,9);
InChIKeyWCUNODGUJDXHFM-UHFFFAOYSA-N
MW246.91 g/mol
LogP0.81
Rot. Bonds5

About CID 88757544

CID 88757544 (PubChem CID 88757544) has the molecular formula C7H14NOSn and a molecular weight of 246.91 g/mol.

Molecular Properties

Compound NameCID 88757544
PubChem CID88757544
Molecular FormulaC7H14NOSn
Molecular Weight246.91 g/mol
Exact Mass248.01
IUPAC Name—
SMILESCCCCCC(=O)NC[Sn]
InChIInChI=1S/C7H14NO.Sn/c1-3-4-5-6-7(9)8-2;/h2-6H2,1H3,(H,8,9);
InChIKeyWCUNODGUJDXHFM-UHFFFAOYSA-N
XLogP0.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.91
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-(hydroxymethyl)henicosanamide
CID 102116485
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of CID 88757544?
The IUPAC name of CID 88757544 (CID 88757544) is not available.
What is the SMILES notation for CID 88757544?
The canonical SMILES for CID 88757544 is CCCCCC(=O)NC[Sn].
What is the InChIKey of CID 88757544?
The InChIKey is WCUNODGUJDXHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.Sn/c1-3-4-5-6-7(9)8-2;/h2-6H2,1H3,(H,8,9);.
What are the key properties of CID 88757544?
CID 88757544 has a molecular weight of 246.91 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88757544 is sourced from PubChem (CID 88757544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).