2-methyl-N-[3-(methylamino)propyl]prop-2-enamide

C8H16N2O — CID 18325584

IUPAC2-methyl-N-[3-(methylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNC
InChIInChI=1S/C8H16N2O/c1-7(2)8(11)10-6-4-5-9-3/h9H,1,4-6H2,2-3H3,(H,10,11)
InChIKeyRZRUOQGLPXQNBX-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.29
Rot. Bonds5

About 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide

2-methyl-N-[3-(methylamino)propyl]prop-2-enamide (PubChem CID 18325584) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]prop-2-enamide
PubChem CID18325584
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-methyl-N-[3-(methylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNC
InChIInChI=1S/C8H16N2O/c1-7(2)8(11)10-6-4-5-9-3/h9H,1,4-6H2,2-3H3,(H,10,11)
InChIKeyRZRUOQGLPXQNBX-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide (CID 18325584) is 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide is C=C(C)C(=O)NCCCNC.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The InChIKey is RZRUOQGLPXQNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)8(11)10-6-4-5-9-3/h9H,1,4-6H2,2-3H3,(H,10,11).
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
2-methyl-N-[3-(methylamino)propyl]prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylamino)propyl]prop-2-enamide is sourced from PubChem (CID 18325584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).