(Z)-3-(diethylamino)-2-methylhex-2-enamide

C11H22N2O — CID 22227457

IUPAC(Z)-3-(diethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(\C)C(N)=O)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-8-10(9(4)11(12)14)13(6-2)7-3/h5-8H2,1-4H3,(H2,12,14)/b10-9-
InChIKeyWTBZROOXCWIPBN-KTKRTIGZSA-N
MW198.31 g/mol
LogP1.89
Rot. Bonds6

About (Z)-3-(diethylamino)-2-methylhex-2-enamide

(Z)-3-(diethylamino)-2-methylhex-2-enamide (PubChem CID 22227457) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-3-(diethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(Z)-3-(diethylamino)-2-methylhex-2-enamide
PubChem CID22227457
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(Z)-3-(diethylamino)-2-methylhex-2-enamide
SMILESCCC/C(=C(\C)C(N)=O)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-8-10(9(4)11(12)14)13(6-2)7-3/h5-8H2,1-4H3,(H2,12,14)/b10-9-
InChIKeyWTBZROOXCWIPBN-KTKRTIGZSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.89
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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Related Compounds

2-Cyano-2-(1-methylpyrrolidin-2-ylidene)acetamide
CID 1615150
(Z)-3-(dimethylamino)-2-methylpent-2-enamide
CID 17800825
(Z)-3-(dimethylamino)-2-methylhex-2-enamide
CID 17903381
(E)-3-(ethylamino)-2,5,5-trimethylhex-2-enamide
CID 17968385
(E)-4-(dibutylamino)-2-methylhex-2-enamide
CID 18997954
(Z)-3-(dimethylamino)-2-methylhept-2-enamide
CID 19089600
(E)-3-(diethylamino)-2,4-dimethylpent-2-enamide
CID 20281324
(E)-3-(dipropylamino)-2-methylpent-2-enamide
CID 21256418
(E)-3-amino-2-ethyl-N-propylpent-2-enamide
CID 21652620
(Z)-3-(diethylamino)-2-methylhept-2-enamide
CID 21653836
(E)-3-amino-N-butyl-2-ethylpent-2-enamide
CID 21693058
(Z)-3-(diethylamino)-2-methylpent-2-enamide
CID 23174709

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(diethylamino)-2-methylhex-2-enamide?
The IUPAC name of (Z)-3-(diethylamino)-2-methylhex-2-enamide (CID 22227457) is (Z)-3-(diethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (Z)-3-(diethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (Z)-3-(diethylamino)-2-methylhex-2-enamide is CCC/C(=C(\C)C(N)=O)N(CC)CC.
What is the InChIKey of (Z)-3-(diethylamino)-2-methylhex-2-enamide?
The InChIKey is WTBZROOXCWIPBN-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-8-10(9(4)11(12)14)13(6-2)7-3/h5-8H2,1-4H3,(H2,12,14)/b10-9-.
What are the key properties of (Z)-3-(diethylamino)-2-methylhex-2-enamide?
(Z)-3-(diethylamino)-2-methylhex-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(diethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 22227457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).