(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine

C10H19NO — CID 106201883

IUPAC(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine
SMILESNC/C=C/COCCC1CCC1
InChIInChI=1S/C10H19NO/c11-7-1-2-8-12-9-6-10-4-3-5-10/h1-2,10H,3-9,11H2/b2-1+
InChIKeyHZNCBTXAEATQGU-OWOJBTEDSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds6

About (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine

(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine (PubChem CID 106201883) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine
PubChem CID106201883
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine
SMILESNC/C=C/COCCC1CCC1
InChIInChI=1S/C10H19NO/c11-7-1-2-8-12-9-6-10-4-3-5-10/h1-2,10H,3-9,11H2/b2-1+
InChIKeyHZNCBTXAEATQGU-OWOJBTEDSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(2-Ethylhexoxy)but-2-en-1-amine
CID 77110142
4-(4-Methylpentoxy)but-2-en-1-amine
CID 77110143
4-Hexoxybut-2-en-1-amine
CID 77110193
4-(Cyclohexylmethoxy)but-2-en-1-amine
CID 77110349
4-(Cyclopentylmethoxy)but-2-en-1-amine
CID 77124845
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
(E)-4-(2-cyclopropylethoxy)but-2-en-1-amine
CID 106201880
2-(2-Cyclobutylethoxymethyl)prop-2-en-1-amine
CID 106203377

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine?
The IUPAC name of (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine (CID 106201883) is (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine?
The canonical SMILES for (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine is NC/C=C/COCCC1CCC1.
What is the InChIKey of (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine?
The InChIKey is HZNCBTXAEATQGU-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-1-2-8-12-9-6-10-4-3-5-10/h1-2,10H,3-9,11H2/b2-1+.
What are the key properties of (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine?
(E)-4-(2-cyclobutylethoxy)but-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-cyclobutylethoxy)but-2-en-1-amine is sourced from PubChem (CID 106201883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).