(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide

C10H20N2O — CID 21135738

IUPAC(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCN(C)C
InChIInChI=1S/C10H20N2O/c1-9(2)5-6-10(13)11-7-8-12(3)4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+
InChIKeyGOUSWVBMYPGXPP-AATRIKPKSA-N
MW184.28 g/mol
LogP0.88
Rot. Bonds5

About (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide

(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide (PubChem CID 21135738) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide
PubChem CID21135738
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCN(C)C
InChIInChI=1S/C10H20N2O/c1-9(2)5-6-10(13)11-7-8-12(3)4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+
InChIKeyGOUSWVBMYPGXPP-AATRIKPKSA-N
XLogP0.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.88
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)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide (CID 21135738) is (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide is CC(C)/C=C/C(=O)NCCN(C)C.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide?
The InChIKey is GOUSWVBMYPGXPP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)5-6-10(13)11-7-8-12(3)4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide?
(E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]-4-methylpent-2-enamide is sourced from PubChem (CID 21135738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).