N-[1-(dimethylamino)propyl]prop-2-enamide

C8H16N2O — CID 19831617

IUPACN-[1-(dimethylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)N(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(10(3)4)9-8(11)6-2/h6-7H,2,5H2,1,3-4H3,(H,9,11)
InChIKeyQNCPCGJTMRRTOH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(dimethylamino)propyl]prop-2-enamide

N-[1-(dimethylamino)propyl]prop-2-enamide (PubChem CID 19831617) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]prop-2-enamide
PubChem CID19831617
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[1-(dimethylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)N(C)C
InChIInChI=1S/C8H16N2O/c1-5-7(10(3)4)9-8(11)6-2/h6-7H,2,5H2,1,3-4H3,(H,9,11)
InChIKeyQNCPCGJTMRRTOH-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-((Dimethylamino)methyl)acrylamide
CID 75820
N-((Dibutylamino)methyl)acrylamide
CID 92692
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
N-[(Dimethylamino)methyl]prop-2-enimidic acid--prop-2-enimidic acid (1/1)
CID 170477
Einecs 256-347-5
CID 3016466
N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 146425012
3-(Acryloylamino)propyltrimethylammonium chloride
CID 155928684
diethyl-bis(prop-2-enyl)azanium;N-[(dimethylamino)methyl]prop-2-enamide;dimethyl-bis(prop-2-enyl)azanium;dichloride
CID 44151653
Allyl-isopropyl-acetylharnstoff
CID 9942324
Trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium
CID 10466073

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]prop-2-enamide?
The IUPAC name of N-[1-(dimethylamino)propyl]prop-2-enamide (CID 19831617) is N-[1-(dimethylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[1-(dimethylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[1-(dimethylamino)propyl]prop-2-enamide is C=CC(=O)NC(CC)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)propyl]prop-2-enamide?
The InChIKey is QNCPCGJTMRRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-7(10(3)4)9-8(11)6-2/h6-7H,2,5H2,1,3-4H3,(H,9,11).
What are the key properties of N-[1-(dimethylamino)propyl]prop-2-enamide?
N-[1-(dimethylamino)propyl]prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]prop-2-enamide is sourced from PubChem (CID 19831617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).