N'-(2-ethenoxyethyl)propane-1,3-diamine

C7H16N2O — CID 141284586

IUPACN'-(2-ethenoxyethyl)propane-1,3-diamine
SMILESC=COCCNCCCN
InChIInChI=1S/C7H16N2O/c1-2-10-7-6-9-5-3-4-8/h2,9H,1,3-8H2
InChIKeyUOPBQLLCSTUNLL-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.08
Rot. Bonds7

About N'-(2-ethenoxyethyl)propane-1,3-diamine

N'-(2-ethenoxyethyl)propane-1,3-diamine (PubChem CID 141284586) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(2-ethenoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethenoxyethyl)propane-1,3-diamine
PubChem CID141284586
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(2-ethenoxyethyl)propane-1,3-diamine
SMILESC=COCCNCCCN
InChIInChI=1S/C7H16N2O/c1-2-10-7-6-9-5-3-4-8/h2,9H,1,3-8H2
InChIKeyUOPBQLLCSTUNLL-UHFFFAOYSA-N
XLogP0.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
N'-[2-[2-(3-aminopropylamino)ethoxy-dimethylsilyl]oxyethyl]propane-1,3-diamine
CID 178166442
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
4-(3-aminopropylamino)butanal
CID 19913541
1-ethenoxyhexane;hexan-1-amine
CID 88695112
N'-pent-4-enylbutane-1,4-diamine
CID 89325974

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethenoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethenoxyethyl)propane-1,3-diamine (CID 141284586) is N'-(2-ethenoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethenoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethenoxyethyl)propane-1,3-diamine is C=COCCNCCCN.
What is the InChIKey of N'-(2-ethenoxyethyl)propane-1,3-diamine?
The InChIKey is UOPBQLLCSTUNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-10-7-6-9-5-3-4-8/h2,9H,1,3-8H2.
What are the key properties of N'-(2-ethenoxyethyl)propane-1,3-diamine?
N'-(2-ethenoxyethyl)propane-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethenoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 141284586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).