N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine

C10H22N2O2 — CID 155457194

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
SMILESC=CC(C)NCCOCCOCCN
InChIInChI=1S/C10H22N2O2/c1-3-10(2)12-5-7-14-9-8-13-6-4-11/h3,10,12H,1,4-9,11H2,2H3
InChIKeyPOYYZLAZOGZHIJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.14
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine (PubChem CID 155457194) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
PubChem CID155457194
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
SMILESC=CC(C)NCCOCCOCCN
InChIInChI=1S/C10H22N2O2/c1-3-10(2)12-5-7-14-9-8-13-6-4-11/h3,10,12H,1,4-9,11H2,2H3
InChIKeyPOYYZLAZOGZHIJ-UHFFFAOYSA-N
XLogP0.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23787663
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
N-(3,3-difluoropropyl)but-3-en-2-amine
CID 130679907
2-[2-[2-[2-[2-[2-[2-(2-buta-1,3-dien-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 166932546
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide
CID 166946896
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine (CID 155457194) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine is C=CC(C)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine?
The InChIKey is POYYZLAZOGZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-10(2)12-5-7-14-9-8-13-6-4-11/h3,10,12H,1,4-9,11H2,2H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine has a molecular weight of 202.30 g/mol, XLogP of 0.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine is sourced from PubChem (CID 155457194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).