CID 5494236

C8H18N — CID 5494236

IUPAC—
SMILESCCCC[N]CCCC
InChIInChI=1S/C8H18N/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKeyXCKHDLPLUOOFHB-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.19
Rot. Bonds6

About CID 5494236

CID 5494236 (PubChem CID 5494236) has the molecular formula C8H18N and a molecular weight of 128.24 g/mol.

Molecular Properties

Compound NameCID 5494236
PubChem CID5494236
Molecular FormulaC8H18N
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name—
SMILESCCCC[N]CCCC
InChIInChI=1S/C8H18N/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKeyXCKHDLPLUOOFHB-UHFFFAOYSA-N
XLogP2.19
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 5494236 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of CID 5494236?
The IUPAC name of CID 5494236 (CID 5494236) is not available.
What is the SMILES notation for CID 5494236?
The canonical SMILES for CID 5494236 is CCCC[N]CCCC.
What is the InChIKey of CID 5494236?
The InChIKey is XCKHDLPLUOOFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of CID 5494236?
CID 5494236 has a molecular weight of 128.24 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5494236 is sourced from PubChem (CID 5494236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).