N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine

C12H24N2O2 — CID 14438303

IUPACN-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOCCNCC=C
InChIInChI=1S/C12H24N2O2/c1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyPHQJKVZBVSYTCK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.57
Rot. Bonds13

About N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine

N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine (PubChem CID 14438303) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine
PubChem CID14438303
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOCCNCC=C
InChIInChI=1S/C12H24N2O2/c1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyPHQJKVZBVSYTCK-UHFFFAOYSA-N
XLogP0.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine (CID 14438303) is N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine is C=CCNCCOCCOCCNCC=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine?
The InChIKey is PHQJKVZBVSYTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-13-7-9-15-11-12-16-10-8-14-6-4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine?
N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.57, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enylamino)ethoxy]ethoxy]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 14438303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).