(E)-3-(dipropylamino)-2-methylpent-2-enamide

C12H24N2O — CID 21256418

IUPAC(E)-3-(dipropylamino)-2-methylpent-2-enamide
SMILESCCCN(CCC)/C(CC)=C(\C)C(N)=O
InChIInChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(7-3)10(4)12(13)15/h5-9H2,1-4H3,(H2,13,15)/b11-10+
InChIKeyLSHMNILEICTQKG-ZHACJKMWSA-N
MW212.34 g/mol
LogP2.28
Rot. Bonds7

About (E)-3-(dipropylamino)-2-methylpent-2-enamide

(E)-3-(dipropylamino)-2-methylpent-2-enamide (PubChem CID 21256418) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-3-(dipropylamino)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-3-(dipropylamino)-2-methylpent-2-enamide
PubChem CID21256418
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-3-(dipropylamino)-2-methylpent-2-enamide
SMILESCCCN(CCC)/C(CC)=C(\C)C(N)=O
InChIInChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(7-3)10(4)12(13)15/h5-9H2,1-4H3,(H2,13,15)/b11-10+
InChIKeyLSHMNILEICTQKG-ZHACJKMWSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.28
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)-3-(dipropylamino)-2-methylpent-2-enamide?
The IUPAC name of (E)-3-(dipropylamino)-2-methylpent-2-enamide (CID 21256418) is (E)-3-(dipropylamino)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-3-(dipropylamino)-2-methylpent-2-enamide?
The canonical SMILES for (E)-3-(dipropylamino)-2-methylpent-2-enamide is CCCN(CCC)/C(CC)=C(\C)C(N)=O.
What is the InChIKey of (E)-3-(dipropylamino)-2-methylpent-2-enamide?
The InChIKey is LSHMNILEICTQKG-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-8-14(9-6-2)11(7-3)10(4)12(13)15/h5-9H2,1-4H3,(H2,13,15)/b11-10+.
What are the key properties of (E)-3-(dipropylamino)-2-methylpent-2-enamide?
(E)-3-(dipropylamino)-2-methylpent-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dipropylamino)-2-methylpent-2-enamide is sourced from PubChem (CID 21256418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).