(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide

C8H16N2O — CID 90151676

IUPAC(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
SMILESCNC(C)/C(C)=C(\C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-5(7(3)10-4)6(2)8(9)11/h7,10H,1-4H3,(H2,9,11)/b6-5+
InChIKeyYNCHVTUQHBIGDM-AATRIKPKSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds3

About (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide

(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide (PubChem CID 90151676) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide.

Molecular Properties

Compound Name(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
PubChem CID90151676
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
SMILESCNC(C)/C(C)=C(\C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-5(7(3)10-4)6(2)8(9)11/h7,10H,1-4H3,(H2,9,11)/b6-5+
InChIKeyYNCHVTUQHBIGDM-AATRIKPKSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)propanamide;hydrochloride
CID 71433439
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol
CID 156865022
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
amino (2S)-2-(methylamino)propanoate
CID 23546966
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
2-(hydroxyamino)propanamide
CID 12611671
(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
acetamide;bis(N-methylmethanamine)
CID 172694142
3,3-dihydroxy-2-methylprop-2-enamide
CID 23369191
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
prop-1-ene-1,1,2-tricarboxamide
CID 155668965

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide?
The IUPAC name of (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide (CID 90151676) is (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide.
What is the SMILES notation for (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide?
The canonical SMILES for (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide is CNC(C)/C(C)=C(\C)C(N)=O.
What is the InChIKey of (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide?
The InChIKey is YNCHVTUQHBIGDM-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(7(3)10-4)6(2)8(9)11/h7,10H,1-4H3,(H2,9,11)/b6-5+.
What are the key properties of (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide?
(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-4-(methylamino)pent-2-enamide is sourced from PubChem (CID 90151676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).