5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one

C15H29NO2 — CID 91408113

IUPAC5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one
SMILESCOCCC/N=C(\CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12(16-9-8-10-18-7)11-13(17)15(4,5)6/h8-11H2,1-7H3/b16-12+
InChIKeyDRWDDQAKSKOLBP-FOWTUZBSSA-N
MW255.40 g/mol
LogP3.52
Rot. Bonds6

About 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one

5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one (PubChem CID 91408113) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one.

Molecular Properties

Compound Name5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one
PubChem CID91408113
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one
SMILESCOCCC/N=C(\CC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12(16-9-8-10-18-7)11-13(17)15(4,5)6/h8-11H2,1-7H3/b16-12+
InChIKeyDRWDDQAKSKOLBP-FOWTUZBSSA-N
XLogP3.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one?
The IUPAC name of 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one (CID 91408113) is 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one.
What is the SMILES notation for 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one?
The canonical SMILES for 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one is COCCC/N=C(\CC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one?
The InChIKey is DRWDDQAKSKOLBP-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12(16-9-8-10-18-7)11-13(17)15(4,5)6/h8-11H2,1-7H3/b16-12+.
What are the key properties of 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one?
5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one has a molecular weight of 255.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylimino)-2,2,6,6-tetramethylheptan-3-one is sourced from PubChem (CID 91408113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).