3-methyl-2,5-dimethylidenehexanediamide

C9H14N2O2 — CID 19422323

IUPAC3-methyl-2,5-dimethylidenehexanediamide
SMILESC=C(CC(C)C(=C)C(N)=O)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5(7(3)9(11)13)4-6(2)8(10)12/h5H,2-4H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyYPXMJSQCLGWWAP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.10
Rot. Bonds5

About 3-methyl-2,5-dimethylidenehexanediamide

3-methyl-2,5-dimethylidenehexanediamide (PubChem CID 19422323) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-2,5-dimethylidenehexanediamide.

Molecular Properties

Compound Name3-methyl-2,5-dimethylidenehexanediamide
PubChem CID19422323
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-2,5-dimethylidenehexanediamide
SMILESC=C(CC(C)C(=C)C(N)=O)C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5(7(3)9(11)13)4-6(2)8(10)12/h5H,2-4H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyYPXMJSQCLGWWAP-UHFFFAOYSA-N
XLogP0.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dimethylidenehexanediamide?
The IUPAC name of 3-methyl-2,5-dimethylidenehexanediamide (CID 19422323) is 3-methyl-2,5-dimethylidenehexanediamide.
What is the SMILES notation for 3-methyl-2,5-dimethylidenehexanediamide?
The canonical SMILES for 3-methyl-2,5-dimethylidenehexanediamide is C=C(CC(C)C(=C)C(N)=O)C(N)=O.
What is the InChIKey of 3-methyl-2,5-dimethylidenehexanediamide?
The InChIKey is YPXMJSQCLGWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(7(3)9(11)13)4-6(2)8(10)12/h5H,2-4H2,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 3-methyl-2,5-dimethylidenehexanediamide?
3-methyl-2,5-dimethylidenehexanediamide has a molecular weight of 182.22 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dimethylidenehexanediamide is sourced from PubChem (CID 19422323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).