2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide

C10H19N3O2 — CID 106915272

IUPAC2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C10H19N3O2/c1-4-5-8(11)10(15)13(3)7-6-9(14)12-2/h4,8H,1,5-7,11H2,2-3H3,(H,12,14)
InChIKeyRYEZSGGUNIAALK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.52
Rot. Bonds6

About 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide

2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide (PubChem CID 106915272) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
PubChem CID106915272
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
SMILESC=CCC(N)C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C10H19N3O2/c1-4-5-8(11)10(15)13(3)7-6-9(14)12-2/h4,8H,1,5-7,11H2,2-3H3,(H,12,14)
InChIKeyRYEZSGGUNIAALK-UHFFFAOYSA-N
XLogP-0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
methyl 2-aminopent-4-enoate
CID 10877146
2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
CID 106918325
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
6-(dimethylamino)-N-methylhexanamide
CID 58019688
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide?
The IUPAC name of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide (CID 106915272) is 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide is C=CCC(N)C(=O)N(C)CCC(=O)NC.
What is the InChIKey of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide?
The InChIKey is RYEZSGGUNIAALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-8(11)10(15)13(3)7-6-9(14)12-2/h4,8H,1,5-7,11H2,2-3H3,(H,12,14).
What are the key properties of 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide?
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide has a molecular weight of 213.28 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide is sourced from PubChem (CID 106915272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).