3-(dimethylamino)-2-methylidenepentanamide

C8H16N2O — CID 18505968

IUPAC3-(dimethylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)N(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(10(3)4)6(2)8(9)11/h7H,2,5H2,1,3-4H3,(H2,9,11)
InChIKeyNETVSAIDACSIHN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds4

About 3-(dimethylamino)-2-methylidenepentanamide

3-(dimethylamino)-2-methylidenepentanamide (PubChem CID 18505968) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylidenepentanamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylidenepentanamide
PubChem CID18505968
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(dimethylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)N(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(10(3)4)6(2)8(9)11/h7H,2,5H2,1,3-4H3,(H2,9,11)
InChIKeyNETVSAIDACSIHN-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
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 3-(dimethylamino)-2-methylidenepentanamide?
The IUPAC name of 3-(dimethylamino)-2-methylidenepentanamide (CID 18505968) is 3-(dimethylamino)-2-methylidenepentanamide.
What is the SMILES notation for 3-(dimethylamino)-2-methylidenepentanamide?
The canonical SMILES for 3-(dimethylamino)-2-methylidenepentanamide is C=C(C(N)=O)C(CC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylidenepentanamide?
The InChIKey is NETVSAIDACSIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7(10(3)4)6(2)8(9)11/h7H,2,5H2,1,3-4H3,(H2,9,11).
What are the key properties of 3-(dimethylamino)-2-methylidenepentanamide?
3-(dimethylamino)-2-methylidenepentanamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylidenepentanamide is sourced from PubChem (CID 18505968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).