4,4-dimethyl-10-(methylamino)decan-5-one

C13H27NO — CID 130267652

IUPAC4,4-dimethyl-10-(methylamino)decan-5-one
SMILESCCCC(C)(C)C(=O)CCCCCNC
InChIInChI=1S/C13H27NO/c1-5-10-13(2,3)12(15)9-7-6-8-11-14-4/h14H,5-11H2,1-4H3
InChIKeyDXBXXJFTOOZPCE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.16
Rot. Bonds9

About 4,4-dimethyl-10-(methylamino)decan-5-one

4,4-dimethyl-10-(methylamino)decan-5-one (PubChem CID 130267652) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-10-(methylamino)decan-5-one.

Molecular Properties

Compound Name4,4-dimethyl-10-(methylamino)decan-5-one
PubChem CID130267652
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-10-(methylamino)decan-5-one
SMILESCCCC(C)(C)C(=O)CCCCCNC
InChIInChI=1S/C13H27NO/c1-5-10-13(2,3)12(15)9-7-6-8-11-14-4/h14H,5-11H2,1-4H3
InChIKeyDXBXXJFTOOZPCE-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-10-(methylamino)decan-5-one?
The IUPAC name of 4,4-dimethyl-10-(methylamino)decan-5-one (CID 130267652) is 4,4-dimethyl-10-(methylamino)decan-5-one.
What is the SMILES notation for 4,4-dimethyl-10-(methylamino)decan-5-one?
The canonical SMILES for 4,4-dimethyl-10-(methylamino)decan-5-one is CCCC(C)(C)C(=O)CCCCCNC.
What is the InChIKey of 4,4-dimethyl-10-(methylamino)decan-5-one?
The InChIKey is DXBXXJFTOOZPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10-13(2,3)12(15)9-7-6-8-11-14-4/h14H,5-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-10-(methylamino)decan-5-one?
4,4-dimethyl-10-(methylamino)decan-5-one has a molecular weight of 213.36 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-10-(methylamino)decan-5-one is sourced from PubChem (CID 130267652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).