2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide

C12H24N2O — CID 71880382

IUPAC2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCCN(C)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(4)12(15)13-8-9-14(5)10(2)3/h7,10H,6,8-9H2,1-5H3,(H,13,15)
InChIKeyDKDOGTZUGXLKDG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds6

About 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide

2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide (PubChem CID 71880382) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide
PubChem CID71880382
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCCN(C)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(4)12(15)13-8-9-14(5)10(2)3/h7,10H,6,8-9H2,1-5H3,(H,13,15)
InChIKeyDKDOGTZUGXLKDG-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
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

(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N-(2-azidoethyl)-2-methylpent-2-enamide
CID 61342491
(2S)-2-hydroxy-3-[[(Z)-2-methylpent-2-enoyl]amino]propanoic acid
CID 107833074
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpent-2-enamide
CID 77114221
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 79803428
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
CID 97455138
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide (CID 71880382) is 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide is CCC=C(C)C(=O)NCCN(C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide?
The InChIKey is DKDOGTZUGXLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-11(4)12(15)13-8-9-14(5)10(2)3/h7,10H,6,8-9H2,1-5H3,(H,13,15).
What are the key properties of 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide?
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide is sourced from PubChem (CID 71880382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).