(E)-4-(dibutylamino)-2-methylhex-2-enamide

C15H30N2O — CID 18997954

IUPAC(E)-4-(dibutylamino)-2-methylhex-2-enamide
SMILESCCCCN(CCCC)C(/C=C(\C)C(N)=O)CC
InChIInChI=1S/C15H30N2O/c1-5-8-10-17(11-9-6-2)14(7-3)12-13(4)15(16)18/h12,14H,5-11H2,1-4H3,(H2,16,18)/b13-12+
InChIKeyFSMNATGHLLMJCT-OUKQBFOZSA-N
MW254.42 g/mol
LogP3.10
Rot. Bonds10

About (E)-4-(dibutylamino)-2-methylhex-2-enamide

(E)-4-(dibutylamino)-2-methylhex-2-enamide (PubChem CID 18997954) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (E)-4-(dibutylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-(dibutylamino)-2-methylhex-2-enamide
PubChem CID18997954
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(E)-4-(dibutylamino)-2-methylhex-2-enamide
SMILESCCCCN(CCCC)C(/C=C(\C)C(N)=O)CC
InChIInChI=1S/C15H30N2O/c1-5-8-10-17(11-9-6-2)14(7-3)12-13(4)15(16)18/h12,14H,5-11H2,1-4H3,(H2,16,18)/b13-12+
InChIKeyFSMNATGHLLMJCT-OUKQBFOZSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.10
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 (E)-4-(dibutylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-4-(dibutylamino)-2-methylhex-2-enamide (CID 18997954) is (E)-4-(dibutylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-4-(dibutylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-4-(dibutylamino)-2-methylhex-2-enamide is CCCCN(CCCC)C(/C=C(\C)C(N)=O)CC.
What is the InChIKey of (E)-4-(dibutylamino)-2-methylhex-2-enamide?
The InChIKey is FSMNATGHLLMJCT-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-8-10-17(11-9-6-2)14(7-3)12-13(4)15(16)18/h12,14H,5-11H2,1-4H3,(H2,16,18)/b13-12+.
What are the key properties of (E)-4-(dibutylamino)-2-methylhex-2-enamide?
(E)-4-(dibutylamino)-2-methylhex-2-enamide has a molecular weight of 254.42 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dibutylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 18997954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).