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

C14H29N2O+ — CID 87943670

IUPACtriethyl-[3-(prop-2-enoylamino)pentyl]azanium
SMILESC=CC(=O)NC(CC)CC[N+](CC)(CC)CC
InChIInChI=1S/C14H28N2O/c1-6-13(15-14(17)7-2)11-12-16(8-3,9-4)10-5/h7,13H,2,6,8-12H2,1,3-5H3/p+1
InChIKeyHLDXHUWSTLPCJH-UHFFFAOYSA-O
MW241.40 g/mol
LogP2.33
Rot. Bonds9

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

triethyl-[3-(prop-2-enoylamino)pentyl]azanium (PubChem CID 87943670) has the molecular formula C14H29N2O+ and a molecular weight of 241.40 g/mol. Its IUPAC name is triethyl-[3-(prop-2-enoylamino)pentyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-(prop-2-enoylamino)pentyl]azanium
PubChem CID87943670
Molecular FormulaC14H29N2O+
Molecular Weight241.40 g/mol
Exact Mass241.23
IUPAC Nametriethyl-[3-(prop-2-enoylamino)pentyl]azanium
SMILESC=CC(=O)NC(CC)CC[N+](CC)(CC)CC
InChIInChI=1S/C14H28N2O/c1-6-13(15-14(17)7-2)11-12-16(8-3,9-4)10-5/h7,13H,2,6,8-12H2,1,3-5H3/p+1
InChIKeyHLDXHUWSTLPCJH-UHFFFAOYSA-O
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910
N-tetradecan-3-ylprop-2-enamide
CID 54185556
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
3,3-bis(prop-2-enoylamino)propyl-trimethylazanium
CID 87735347
2-(prop-2-enoylamino)butane-1-sulfonate
CID 19690629
N-tridecan-5-ylprop-2-enamide
CID 141277245
diethyl-methyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 87985371
triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
ethyl-dimethyl-[3-(2-methylprop-2-enoylamino)pentyl]azanium
CID 87943234

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(prop-2-enoylamino)pentyl]azanium?
The IUPAC name of triethyl-[3-(prop-2-enoylamino)pentyl]azanium (CID 87943670) is triethyl-[3-(prop-2-enoylamino)pentyl]azanium.
What is the SMILES notation for triethyl-[3-(prop-2-enoylamino)pentyl]azanium?
The canonical SMILES for triethyl-[3-(prop-2-enoylamino)pentyl]azanium is C=CC(=O)NC(CC)CC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[3-(prop-2-enoylamino)pentyl]azanium?
The InChIKey is HLDXHUWSTLPCJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H28N2O/c1-6-13(15-14(17)7-2)11-12-16(8-3,9-4)10-5/h7,13H,2,6,8-12H2,1,3-5H3/p+1.
What are the key properties of triethyl-[3-(prop-2-enoylamino)pentyl]azanium?
triethyl-[3-(prop-2-enoylamino)pentyl]azanium has a molecular weight of 241.40 g/mol, XLogP of 2.33, 9 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)pentyl]azanium is sourced from PubChem (CID 87943670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).