(E)-3-(dimethylamino)-2-methylhex-2-enamide

C9H18N2O — CID 67763533

IUPAC(E)-3-(dimethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(/C)C(N)=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-8(11(3)4)7(2)9(10)12/h5-6H2,1-4H3,(H2,10,12)/b8-7+
InChIKeyKAQAWDGSMWUUDO-BQYQJAHWSA-N
MW170.26 g/mol
LogP1.11
Rot. Bonds4

About (E)-3-(dimethylamino)-2-methylhex-2-enamide

(E)-3-(dimethylamino)-2-methylhex-2-enamide (PubChem CID 67763533) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-methylhex-2-enamide
PubChem CID67763533
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-3-(dimethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(/C)C(N)=O)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-8(11(3)4)7(2)9(10)12/h5-6H2,1-4H3,(H2,10,12)/b8-7+
InChIKeyKAQAWDGSMWUUDO-BQYQJAHWSA-N
XLogP1.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.11
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-(dimethylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-3-(dimethylamino)-2-methylhex-2-enamide (CID 67763533) is (E)-3-(dimethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-3-(dimethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-3-(dimethylamino)-2-methylhex-2-enamide is CCC/C(=C(/C)C(N)=O)N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-2-methylhex-2-enamide?
The InChIKey is KAQAWDGSMWUUDO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-8(11(3)4)7(2)9(10)12/h5-6H2,1-4H3,(H2,10,12)/b8-7+.
What are the key properties of (E)-3-(dimethylamino)-2-methylhex-2-enamide?
(E)-3-(dimethylamino)-2-methylhex-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 67763533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).