3-(dibutylamino)-2-methylidenepentanamide

C14H28N2O — CID 18997958

IUPAC3-(dibutylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)N(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-5-8-10-16(11-9-6-2)13(7-3)12(4)14(15)17/h13H,4-11H2,1-3H3,(H2,15,17)
InChIKeyFVTQUFOBZCFQPW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.71
Rot. Bonds10

About 3-(dibutylamino)-2-methylidenepentanamide

3-(dibutylamino)-2-methylidenepentanamide (PubChem CID 18997958) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(dibutylamino)-2-methylidenepentanamide.

Molecular Properties

Compound Name3-(dibutylamino)-2-methylidenepentanamide
PubChem CID18997958
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(dibutylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)N(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-5-8-10-16(11-9-6-2)13(7-3)12(4)14(15)17/h13H,4-11H2,1-3H3,(H2,15,17)
InChIKeyFVTQUFOBZCFQPW-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.71
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-(dibutylamino)-2-methylidenepentanamide?
The IUPAC name of 3-(dibutylamino)-2-methylidenepentanamide (CID 18997958) is 3-(dibutylamino)-2-methylidenepentanamide.
What is the SMILES notation for 3-(dibutylamino)-2-methylidenepentanamide?
The canonical SMILES for 3-(dibutylamino)-2-methylidenepentanamide is C=C(C(N)=O)C(CC)N(CCCC)CCCC.
What is the InChIKey of 3-(dibutylamino)-2-methylidenepentanamide?
The InChIKey is FVTQUFOBZCFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-8-10-16(11-9-6-2)13(7-3)12(4)14(15)17/h13H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of 3-(dibutylamino)-2-methylidenepentanamide?
3-(dibutylamino)-2-methylidenepentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-2-methylidenepentanamide is sourced from PubChem (CID 18997958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).