dimethyl-[2-(prop-2-enoylamino)ethyl]azanium

C7H15N2O+ — CID 18325508

IUPACdimethyl-[2-(prop-2-enoylamino)ethyl]azanium
SMILESC=CC(=O)NCC[NH+](C)C
InChIInChI=1S/C7H14N2O/c1-4-7(10)8-5-6-9(2)3/h4H,1,5-6H2,2-3H3,(H,8,10)/p+1
InChIKeyWDQKICIMIPUDBL-UHFFFAOYSA-O
MW143.21 g/mol
LogP-1.57
Rot. Bonds4

About dimethyl-[2-(prop-2-enoylamino)ethyl]azanium

dimethyl-[2-(prop-2-enoylamino)ethyl]azanium (PubChem CID 18325508) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is dimethyl-[2-(prop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(prop-2-enoylamino)ethyl]azanium
PubChem CID18325508
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Namedimethyl-[2-(prop-2-enoylamino)ethyl]azanium
SMILESC=CC(=O)NCC[NH+](C)C
InChIInChI=1S/C7H14N2O/c1-4-7(10)8-5-6-9(2)3/h4H,1,5-6H2,2-3H3,(H,8,10)/p+1
InChIKeyWDQKICIMIPUDBL-UHFFFAOYSA-O
XLogP-1.57
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Isopropylacrylamide
CID 16637
(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
Allylacrylamide
CID 95149
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-(2-Amino-2-oxoethyl)acrylamide
CID 20038864
N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The IUPAC name of dimethyl-[2-(prop-2-enoylamino)ethyl]azanium (CID 18325508) is dimethyl-[2-(prop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The canonical SMILES for dimethyl-[2-(prop-2-enoylamino)ethyl]azanium is C=CC(=O)NCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-(prop-2-enoylamino)ethyl]azanium?
The InChIKey is WDQKICIMIPUDBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-4-7(10)8-5-6-9(2)3/h4H,1,5-6H2,2-3H3,(H,8,10)/p+1.
What are the key properties of dimethyl-[2-(prop-2-enoylamino)ethyl]azanium?
dimethyl-[2-(prop-2-enoylamino)ethyl]azanium has a molecular weight of 143.21 g/mol, XLogP of -1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(prop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 18325508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).