N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine

C11H24N2O — CID 155751057

IUPACN-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)CCOCCNCC
InChIInChI=1S/C11H24N2O/c1-5-11(3)13(4)8-10-14-9-7-12-6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyMVVBBMVNLJYJFM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.47
Rot. Bonds9

About N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine

N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine (PubChem CID 155751057) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine
PubChem CID155751057
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine
SMILESC=C(CC)N(C)CCOCCNCC
InChIInChI=1S/C11H24N2O/c1-5-11(3)13(4)8-10-14-9-7-12-6-2/h12H,3,5-10H2,1-2,4H3
InChIKeyMVVBBMVNLJYJFM-UHFFFAOYSA-N
XLogP1.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.47
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-methylbut-1-en-2-amine?
The IUPAC name of N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine (CID 155751057) is N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine.
What is the SMILES notation for N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine?
The canonical SMILES for N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine is C=C(CC)N(C)CCOCCNCC.
What is the InChIKey of N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine?
The InChIKey is MVVBBMVNLJYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-11(3)13(4)8-10-14-9-7-12-6-2/h12H,3,5-10H2,1-2,4H3.
What are the key properties of N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine?
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.47, 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-methylbut-1-en-2-amine is sourced from PubChem (CID 155751057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).