triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium

C14H29N2O+ — CID 101274942

IUPACtriethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
SMILESCCCC/C=C/C(=O)NC[N+](CC)(CC)CC
InChIInChI=1S/C14H28N2O/c1-5-9-10-11-12-14(17)15-13-16(6-2,7-3)8-4/h11-12H,5-10,13H2,1-4H3/p+1/b12-11+
InChIKeyZZZWHGKDQJTZHC-VAWYXSNFSA-O
MW241.40 g/mol
LogP2.68
Rot. Bonds9

About triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium

triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium (PubChem CID 101274942) has the molecular formula C14H29N2O+ and a molecular weight of 241.40 g/mol. Its IUPAC name is triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium.

Molecular Properties

Compound Nametriethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
PubChem CID101274942
Molecular FormulaC14H29N2O+
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Nametriethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
SMILESCCCC/C=C/C(=O)NC[N+](CC)(CC)CC
InChIInChI=1S/C14H28N2O/c1-5-9-10-11-12-14(17)15-13-16(6-2,7-3)8-4/h11-12H,5-10,13H2,1-4H3/p+1/b12-11+
InChIKeyZZZWHGKDQJTZHC-VAWYXSNFSA-O
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
CID 101274924
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
bis(4-carboxybutyl)-[2-[[(E)-hept-2-enoyl]amino]ethyl]-(2-hydroxyethyl)azanium
CID 101280972
hept-2-enoyl fluoride
CID 162347019

Frequently Asked Questions

What is the IUPAC name of triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium?
The IUPAC name of triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium (CID 101274942) is triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium.
What is the SMILES notation for triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium?
The canonical SMILES for triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium is CCCC/C=C/C(=O)NC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium?
The InChIKey is ZZZWHGKDQJTZHC-VAWYXSNFSA-O. The full InChI is InChI=1S/C14H28N2O/c1-5-9-10-11-12-14(17)15-13-16(6-2,7-3)8-4/h11-12H,5-10,13H2,1-4H3/p+1/b12-11+.
What are the key properties of triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium?
triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium has a molecular weight of 241.40 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium is sourced from PubChem (CID 101274942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).