bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene

C15H30NO3+ — CID 91132974

IUPACbis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene
SMILESC=CCOCC.C=CCOCC[NH2+]CCOCC=C
InChIInChI=1S/C10H19NO2.C5H10O/c1-3-7-12-9-5-11-6-10-13-8-4-2;1-3-5-6-4-2/h3-4,11H,1-2,5-10H2;3H,1,4-5H2,2H3/p+1
InChIKeyHTDWPTDQWRTMFZ-UHFFFAOYSA-O
MW272.41 g/mol
LogP1.16
Rot. Bonds13

About bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene

bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene (PubChem CID 91132974) has the molecular formula C15H30NO3+ and a molecular weight of 272.41 g/mol. Its IUPAC name is bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene.

Molecular Properties

Compound Namebis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene
PubChem CID91132974
Molecular FormulaC15H30NO3+
Molecular Weight272.41 g/mol
Exact Mass272.22
IUPAC Namebis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene
SMILESC=CCOCC.C=CCOCC[NH2+]CCOCC=C
InChIInChI=1S/C10H19NO2.C5H10O/c1-3-7-12-9-5-11-6-10-13-8-4-2;1-3-5-6-4-2/h3-4,11H,1-2,5-10H2;3H,1,4-5H2,2H3/p+1
InChIKeyHTDWPTDQWRTMFZ-UHFFFAOYSA-O
XLogP1.16
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl[2-(prop-2-en-1-yloxy)ethyl]amine hydrochloride
CID 154803684
Methyl[2-(prop-2-en-1-yloxy)ethyl]amine
CID 58684300
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
N-(2-fluoroethyl)-2-prop-2-enoxyethanamine
CID 130501726
N-(2-prop-2-enoxyethyl)prop-2-en-1-amine
CID 13927842
2-buta-1,3-dien-2-yloxy-N-methylethanamine
CID 21937394
(9Z)-1,7-dioxa-4-azacycloundec-9-ene
CID 22899052
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
Bis-(2-allyloxy-ethyl)-amine
CID 22899057
N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
CID 22899058
2-(2-prop-2-enoxyethoxy)-N-[2-(2-prop-2-enoxyethoxy)ethyl]ethanamine
CID 53686082
1,7-Dioxa-4-azacycloundec-9-ene
CID 53730540

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene?
The IUPAC name of bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene (CID 91132974) is bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene.
What is the SMILES notation for bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene?
The canonical SMILES for bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene is C=CCOCC.C=CCOCC[NH2+]CCOCC=C.
What is the InChIKey of bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene?
The InChIKey is HTDWPTDQWRTMFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2.C5H10O/c1-3-7-12-9-5-11-6-10-13-8-4-2;1-3-5-6-4-2/h3-4,11H,1-2,5-10H2;3H,1,4-5H2,2H3/p+1.
What are the key properties of bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene?
bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene has a molecular weight of 272.41 g/mol, XLogP of 1.16, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene is sourced from PubChem (CID 91132974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).