(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine

C10H21NO2 — CID 112587722

IUPAC(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine
SMILESCC(C)(C)OCCOC/C=C/CN
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9-8-12-7-5-4-6-11/h4-5H,6-9,11H2,1-3H3/b5-4+
InChIKeyHGMAUYAWQRZTND-SNAWJCMRSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds6

About (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine

(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine (PubChem CID 112587722) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine
PubChem CID112587722
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine
SMILESCC(C)(C)OCCOC/C=C/CN
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9-8-12-7-5-4-6-11/h4-5H,6-9,11H2,1-3H3/b5-4+
InChIKeyHGMAUYAWQRZTND-SNAWJCMRSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine
CID 143223439
3-Methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
CID 145279702
(Z)-N-methyl-4-(2-propan-2-yloxyethoxy)but-2-en-1-amine
CID 177991249
(E)-4-(2-ethoxyethoxy)-N-methylbut-2-en-1-amine
CID 177991339
(E)-N-methyl-4-(2-propan-2-yloxyethoxy)but-2-en-1-amine
CID 177991467
(E)-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
CID 14658345
4-(Tert-butoxy)but-2-en-1-amine
CID 66043910
(E)-4-butan-2-yloxybut-2-en-1-amine
CID 66046314
4-(2-Butoxyethoxy)but-2-en-1-amine
CID 77110139
4-[(2-Methylpropan-2-yl)oxy]but-2-en-1-amine
CID 77110141
4-(2-Methylbutan-2-yloxy)but-2-en-1-amine
CID 77110192
4-(2-Ethoxyethoxy)but-2-en-1-amine
CID 77110386

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine?
The IUPAC name of (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine (CID 112587722) is (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine.
What is the SMILES notation for (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine?
The canonical SMILES for (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine is CC(C)(C)OCCOC/C=C/CN.
What is the InChIKey of (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine?
The InChIKey is HGMAUYAWQRZTND-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-9-8-12-7-5-4-6-11/h4-5H,6-9,11H2,1-3H3/b5-4+.
What are the key properties of (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine?
(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine is sourced from PubChem (CID 112587722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).