5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride

C8H17ClN2O — CID 141073365

IUPAC5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
SMILESCC(=CCCN(C)C)C(N)=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(8(9)11)5-4-6-10(2)3;/h5H,4,6H2,1-3H3,(H2,9,11);1H
InChIKeyZRUVTNSMSQVYJQ-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.79
Rot. Bonds4

About 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride

5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride (PubChem CID 141073365) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride.

Molecular Properties

Compound Name5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
PubChem CID141073365
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
SMILESCC(=CCCN(C)C)C(N)=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(8(9)11)5-4-6-10(2)3;/h5H,4,6H2,1-3H3,(H2,9,11);1H
InChIKeyZRUVTNSMSQVYJQ-UHFFFAOYSA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.79
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

6-(dimethylamino)-2-methylhex-2-enamide;5-(dimethylamino)-2-methylidenepentanamide;5-(dimethylamino)-2-methylpent-2-enamide
CID 173096321
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
chloromethyl 5-(dimethylamino)-2-methylpent-2-enoate;hydrochloride
CID 175387120
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
2-methylhex-2-enamide;hydrochloride
CID 141109029
chloro 5-(dimethylamino)-2-methylpent-2-enoate
CID 141297065
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide
CID 141256593
6-amino-2-methylhex-2-enamide
CID 54113800
chloromethylbenzene;6-(dimethylamino)-2-methylhex-2-enamide
CID 162054583
13-(dimethylamino)-10-methyltridec-10-enamide
CID 173440462

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride?
The IUPAC name of 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride (CID 141073365) is 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride.
What is the SMILES notation for 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride?
The canonical SMILES for 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride is CC(=CCCN(C)C)C(N)=O.Cl.
What is the InChIKey of 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride?
The InChIKey is ZRUVTNSMSQVYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-7(8(9)11)5-4-6-10(2)3;/h5H,4,6H2,1-3H3,(H2,9,11);1H.
What are the key properties of 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride?
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride is sourced from PubChem (CID 141073365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).