1-(3-ethoxycyclobutyl)but-3-en-2-amine

C10H19NO — CID 103168975

IUPAC1-(3-ethoxycyclobutyl)but-3-en-2-amine
SMILESC=CC(N)CC1CC(OCC)C1
InChIInChI=1S/C10H19NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h3,8-10H,1,4-7,11H2,2H3
InChIKeyZQWDFZMDVUPIGQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds5

About 1-(3-ethoxycyclobutyl)but-3-en-2-amine

1-(3-ethoxycyclobutyl)but-3-en-2-amine (PubChem CID 103168975) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)but-3-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)but-3-en-2-amine
PubChem CID103168975
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-ethoxycyclobutyl)but-3-en-2-amine
SMILESC=CC(N)CC1CC(OCC)C1
InChIInChI=1S/C10H19NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h3,8-10H,1,4-7,11H2,2H3
InChIKeyZQWDFZMDVUPIGQ-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Tert-butoxy)-2-(prop-2-en-1-yl)cyclobutan-1-amine
CID 137942225
rac-(1R,2S,3R)-3-(tert-butoxy)-2-(prop-2-en-1-yl)cyclobutan-1-amine hydrochloride
CID 137964245
(4R,5S,6S,7R)-4,5,6-trimethyl-7-(trifluoromethoxy)oct-1-en-3-amine
CID 173907596
(3S)-5-(3,3-dimethyloxiran-2-yl)pent-1-en-3-amine
CID 146180433
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-ethoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103168310
1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
CID 103168311
1-(3-Ethoxycyclobutyl)pent-4-en-2-amine
CID 103168312
1-(3-ethoxycyclobutyl)-N-ethylpent-4-en-2-amine
CID 103168313
1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine
CID 103168774
1-(3-Ethoxycyclobutyl)hept-6-en-2-amine
CID 103168775

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)but-3-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)but-3-en-2-amine (CID 103168975) is 1-(3-ethoxycyclobutyl)but-3-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)but-3-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)but-3-en-2-amine is C=CC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)but-3-en-2-amine?
The InChIKey is ZQWDFZMDVUPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h3,8-10H,1,4-7,11H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)but-3-en-2-amine?
1-(3-ethoxycyclobutyl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)but-3-en-2-amine is sourced from PubChem (CID 103168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).