2-(dimethylaminomethylidene)hexanamide

C9H18N2O — CID 141171863

IUPAC2-(dimethylaminomethylidene)hexanamide
SMILESCCCCC(=CN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-8(9(10)12)7-11(2)3/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBOMWNJFPINSCLR-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.11
Rot. Bonds5

About 2-(dimethylaminomethylidene)hexanamide

2-(dimethylaminomethylidene)hexanamide (PubChem CID 141171863) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)hexanamide.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)hexanamide
PubChem CID141171863
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(dimethylaminomethylidene)hexanamide
SMILESCCCCC(=CN(C)C)C(N)=O
InChIInChI=1S/C9H18N2O/c1-4-5-6-8(9(10)12)7-11(2)3/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBOMWNJFPINSCLR-UHFFFAOYSA-N
XLogP1.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylideneoctadecanamide
CID 141119567
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
[(E)-2-carbamoylhex-1-enyl] hydrogen sulfate
CID 141051194
ethyl (3E)-3-(dimethylaminomethylidene)-2-oxohexanoate
CID 87523307
2-dodecylpentadec-2-enamide
CID 173002797
8-carbamoyldodeca-5,7-dien-5-yl formate
CID 58120527
acetamide;pentanamide
CID 158041283
2-hexylidenehexanediamide
CID 140969893
2-nonylidenedodecanediamide
CID 154630805
acetamide;pentanamide;dihydrochloride
CID 141201232
decanamide;N,N-dimethylpropan-1-amine
CID 160827812

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylidene)hexanamide?
The IUPAC name of 2-(dimethylaminomethylidene)hexanamide (CID 141171863) is 2-(dimethylaminomethylidene)hexanamide.
What is the SMILES notation for 2-(dimethylaminomethylidene)hexanamide?
The canonical SMILES for 2-(dimethylaminomethylidene)hexanamide is CCCCC(=CN(C)C)C(N)=O.
What is the InChIKey of 2-(dimethylaminomethylidene)hexanamide?
The InChIKey is BOMWNJFPINSCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-8(9(10)12)7-11(2)3/h7H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 2-(dimethylaminomethylidene)hexanamide?
2-(dimethylaminomethylidene)hexanamide has a molecular weight of 170.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)hexanamide is sourced from PubChem (CID 141171863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).