triethyl-[3-(prop-2-enoylamino)propyl]azanium

C12H25N2O+ — CID 10013436

IUPACtriethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](CC)(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)13-10-9-11-14(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/p+1
InChIKeyNEVLVJUGUZQROA-UHFFFAOYSA-O
MW213.34 g/mol
LogP1.56
Rot. Bonds8

About triethyl-[3-(prop-2-enoylamino)propyl]azanium

triethyl-[3-(prop-2-enoylamino)propyl]azanium (PubChem CID 10013436) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is triethyl-[3-(prop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-(prop-2-enoylamino)propyl]azanium
PubChem CID10013436
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC Nametriethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](CC)(CC)CC
InChIInChI=1S/C12H24N2O/c1-5-12(15)13-10-9-11-14(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/p+1
InChIKeyNEVLVJUGUZQROA-UHFFFAOYSA-O
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
(Acrylamidopropyl)trimethylammonium chloride
CID 170750
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N,N-`Bisacrylamido-1,3-propan
CID 11636931
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N,N'-Diethyl-1,3-bis(acrylamido)propane
CID 22311263

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(prop-2-enoylamino)propyl]azanium?
The IUPAC name of triethyl-[3-(prop-2-enoylamino)propyl]azanium (CID 10013436) is triethyl-[3-(prop-2-enoylamino)propyl]azanium.
What is the SMILES notation for triethyl-[3-(prop-2-enoylamino)propyl]azanium?
The canonical SMILES for triethyl-[3-(prop-2-enoylamino)propyl]azanium is C=CC(=O)NCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[3-(prop-2-enoylamino)propyl]azanium?
The InChIKey is NEVLVJUGUZQROA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O/c1-5-12(15)13-10-9-11-14(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/p+1.
What are the key properties of triethyl-[3-(prop-2-enoylamino)propyl]azanium?
triethyl-[3-(prop-2-enoylamino)propyl]azanium has a molecular weight of 213.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-(prop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 10013436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).