(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine

C13H27NO4 — CID 126547568

IUPAC(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine
SMILESC/C=C(\C)NCCOCCOCCOCCOC
InChIInChI=1S/C13H27NO4/c1-4-13(2)14-5-6-16-9-10-18-12-11-17-8-7-15-3/h4,14H,5-12H2,1-3H3/b13-4+
InChIKeyNISYELJZIUULLE-YIXHJXPBSA-N
MW261.36 g/mol
LogP1.20
Rot. Bonds13

About (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine

(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine (PubChem CID 126547568) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine
PubChem CID126547568
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine
SMILESC/C=C(\C)NCCOCCOCCOCCOC
InChIInChI=1S/C13H27NO4/c1-4-13(2)14-5-6-16-9-10-18-12-11-17-8-7-15-3/h4,14H,5-12H2,1-3H3/b13-4+
InChIKeyNISYELJZIUULLE-YIXHJXPBSA-N
XLogP1.20
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine
CID 155176456
(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
CID 59520542
(Z)-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-1-chlorobut-2-en-2-amine
CID 134395643
N-(2-butoxyethyl)prop-1-en-2-amine
CID 145111460
(3E)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]penta-1,3-dien-3-amine
CID 148427435
2-[2-[2-(Prop-1-en-2-ylamino)ethoxy]ethoxy]ethanol
CID 153623759
(2Z)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]penta-2,4-dien-2-amine
CID 166090083
N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine
CID 170639915
N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine
CID 171832820
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
CID 172597926
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylprop-1-en-2-amine
CID 174316018
N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
CID 175632336

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine?
The IUPAC name of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine (CID 126547568) is (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine.
What is the SMILES notation for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine?
The canonical SMILES for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine is C/C=C(\C)NCCOCCOCCOCCOC.
What is the InChIKey of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine?
The InChIKey is NISYELJZIUULLE-YIXHJXPBSA-N. The full InChI is InChI=1S/C13H27NO4/c1-4-13(2)14-5-6-16-9-10-18-12-11-17-8-7-15-3/h4,14H,5-12H2,1-3H3/b13-4+.
What are the key properties of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine?
(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine has a molecular weight of 261.36 g/mol, XLogP of 1.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]but-2-en-2-amine is sourced from PubChem (CID 126547568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).