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

C8H16N2O — CID 155577367

IUPACN-[2-methyl-2-(methylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)NC
InChIInChI=1S/C8H16N2O/c1-5-7(11)10-6-8(2,3)9-4/h5,9H,1,6H2,2-4H3,(H,10,11)
InChIKeyWZEPMZSCFOJCQF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.29
Rot. Bonds4

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

N-[2-methyl-2-(methylamino)propyl]prop-2-enamide (PubChem CID 155577367) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[2-methyl-2-(methylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-2-(methylamino)propyl]prop-2-enamide
PubChem CID155577367
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[2-methyl-2-(methylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)NC
InChIInChI=1S/C8H16N2O/c1-5-7(11)10-6-8(2,3)9-4/h5,9H,1,6H2,2-4H3,(H,10,11)
InChIKeyWZEPMZSCFOJCQF-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282
bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
CID 174745288
1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
CID 163944896
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
N-(2-butyl-2-methyloctyl)prop-2-enamide
CID 130271966
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(methylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-2-(methylamino)propyl]prop-2-enamide (CID 155577367) is N-[2-methyl-2-(methylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-2-(methylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-2-(methylamino)propyl]prop-2-enamide is C=CC(=O)NCC(C)(C)NC.
What is the InChIKey of N-[2-methyl-2-(methylamino)propyl]prop-2-enamide?
The InChIKey is WZEPMZSCFOJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7(11)10-6-8(2,3)9-4/h5,9H,1,6H2,2-4H3,(H,10,11).
What are the key properties of N-[2-methyl-2-(methylamino)propyl]prop-2-enamide?
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(methylamino)propyl]prop-2-enamide is sourced from PubChem (CID 155577367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).