CID 11459117

C15H30NO — CID 11459117

IUPAC—
SMILESCCCCCCC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C15H30NO/c1-6-7-8-9-10-13-11-14(2,3)16(17)15(4,5)12-13/h13H,6-12H2,1-5H3
InChIKeyZHVWPDAHZXNKEL-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.57
Rot. Bonds5

About CID 11459117

CID 11459117 (PubChem CID 11459117) has the molecular formula C15H30NO and a molecular weight of 240.41 g/mol.

Molecular Properties

Compound NameCID 11459117
PubChem CID11459117
Molecular FormulaC15H30NO
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name—
SMILESCCCCCCC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C15H30NO/c1-6-7-8-9-10-13-11-14(2,3)16(17)15(4,5)12-13/h13H,6-12H2,1-5H3
InChIKeyZHVWPDAHZXNKEL-UHFFFAOYSA-N
XLogP4.57
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11459117 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

4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2,6-dihexylspiro[3.3]heptane
CID 58679549
CID 90849890
CID 90849890
CID 102461114
CID 102461114
CID 101119102
CID 101119102
CID 101170549
CID 101170549
2-(4-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 139677886
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
CID 153419566
CID 153419566

Frequently Asked Questions

What is the IUPAC name of CID 11459117?
The IUPAC name of CID 11459117 (CID 11459117) is not available.
What is the SMILES notation for CID 11459117?
The canonical SMILES for CID 11459117 is CCCCCCC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 11459117?
The InChIKey is ZHVWPDAHZXNKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO/c1-6-7-8-9-10-13-11-14(2,3)16(17)15(4,5)12-13/h13H,6-12H2,1-5H3.
What are the key properties of CID 11459117?
CID 11459117 has a molecular weight of 240.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11459117 is sourced from PubChem (CID 11459117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).