N,N-dimethylethanamine;2-methylpent-2-enamide

C10H22N2O — CID 172721563

IUPACN,N-dimethylethanamine;2-methylpent-2-enamide
SMILESCCC=C(C)C(N)=O.CCN(C)C
InChIInChI=1S/C6H11NO.C4H11N/c1-3-4-5(2)6(7)8;1-4-5(2)3/h4H,3H2,1-2H3,(H2,7,8);4H2,1-3H3
InChIKeyGOUPEVSLVOXCHP-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.40
Rot. Bonds3

About N,N-dimethylethanamine;2-methylpent-2-enamide

N,N-dimethylethanamine;2-methylpent-2-enamide (PubChem CID 172721563) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,N-dimethylethanamine;2-methylpent-2-enamide.

Molecular Properties

Compound NameN,N-dimethylethanamine;2-methylpent-2-enamide
PubChem CID172721563
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,N-dimethylethanamine;2-methylpent-2-enamide
SMILESCCC=C(C)C(N)=O.CCN(C)C
InChIInChI=1S/C6H11NO.C4H11N/c1-3-4-5(2)6(7)8;1-4-5(2)3/h4H,3H2,1-2H3,(H2,7,8);4H2,1-3H3
InChIKeyGOUPEVSLVOXCHP-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;2-methylpent-2-enamide?
The IUPAC name of N,N-dimethylethanamine;2-methylpent-2-enamide (CID 172721563) is N,N-dimethylethanamine;2-methylpent-2-enamide.
What is the SMILES notation for N,N-dimethylethanamine;2-methylpent-2-enamide?
The canonical SMILES for N,N-dimethylethanamine;2-methylpent-2-enamide is CCC=C(C)C(N)=O.CCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;2-methylpent-2-enamide?
The InChIKey is GOUPEVSLVOXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H11N/c1-3-4-5(2)6(7)8;1-4-5(2)3/h4H,3H2,1-2H3,(H2,7,8);4H2,1-3H3.
What are the key properties of N,N-dimethylethanamine;2-methylpent-2-enamide?
N,N-dimethylethanamine;2-methylpent-2-enamide has a molecular weight of 186.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;2-methylpent-2-enamide is sourced from PubChem (CID 172721563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).