N-(3,4-dimethylpent-3-enyl)-N-methylacetamide

C10H19NO — CID 58435767

IUPACN-(3,4-dimethylpent-3-enyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)=C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)9(3)6-7-11(5)10(4)12/h6-7H2,1-5H3
InChIKeyGWODACPJSNNYJN-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About N-(3,4-dimethylpent-3-enyl)-N-methylacetamide

N-(3,4-dimethylpent-3-enyl)-N-methylacetamide (PubChem CID 58435767) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3,4-dimethylpent-3-enyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylpent-3-enyl)-N-methylacetamide
PubChem CID58435767
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3,4-dimethylpent-3-enyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)=C(C)C
InChIInChI=1S/C10H19NO/c1-8(2)9(3)6-7-11(5)10(4)12/h6-7H2,1-5H3
InChIKeyGWODACPJSNNYJN-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpent-3-enyl)-N-methylacetamide?
The IUPAC name of N-(3,4-dimethylpent-3-enyl)-N-methylacetamide (CID 58435767) is N-(3,4-dimethylpent-3-enyl)-N-methylacetamide.
What is the SMILES notation for N-(3,4-dimethylpent-3-enyl)-N-methylacetamide?
The canonical SMILES for N-(3,4-dimethylpent-3-enyl)-N-methylacetamide is CC(=O)N(C)CCC(C)=C(C)C.
What is the InChIKey of N-(3,4-dimethylpent-3-enyl)-N-methylacetamide?
The InChIKey is GWODACPJSNNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(3)6-7-11(5)10(4)12/h6-7H2,1-5H3.
What are the key properties of N-(3,4-dimethylpent-3-enyl)-N-methylacetamide?
N-(3,4-dimethylpent-3-enyl)-N-methylacetamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpent-3-enyl)-N-methylacetamide is sourced from PubChem (CID 58435767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).