2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one

C16H31NO — CID 90351461

IUPAC2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
SMILESC=CCCCCC(C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3
InChIKeyGZJXOCYNXUTRNT-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds9

About 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one

2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one (PubChem CID 90351461) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
PubChem CID90351461
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
SMILESC=CCCCCC(C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3
InChIKeyGZJXOCYNXUTRNT-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
The IUPAC name of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one (CID 90351461) is 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one.
What is the SMILES notation for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
The canonical SMILES for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one is C=CCCCCC(C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
The InChIKey is GZJXOCYNXUTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3.
What are the key properties of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one has a molecular weight of 253.43 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one is sourced from PubChem (CID 90351461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).