N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine

C12H26N2O — CID 142615767

IUPACN-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CCOCCNCC
InChIInChI=1S/C12H26N2O/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3/h11,13H,4,6-10H2,1-3,5H3
InChIKeyXWBIKBZWVSXWPE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.71
Rot. Bonds9

About N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine

N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine (PubChem CID 142615767) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
PubChem CID142615767
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CCOCCNCC
InChIInChI=1S/C12H26N2O/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3/h11,13H,4,6-10H2,1-3,5H3
InChIKeyXWBIKBZWVSXWPE-UHFFFAOYSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine (CID 142615767) is N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine is C=C(C(C)C)N(C)CCOCCNCC.
What is the InChIKey of N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The InChIKey is XWBIKBZWVSXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3/h11,13H,4,6-10H2,1-3,5H3.
What are the key properties of N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 142615767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).