1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine

C13H23NO — CID 103163063

IUPAC1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12-13H,2-4,6-9,14H2,1H3
InChIKeyYVKJWLJPELQTFD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds5

About 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine

1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 103163063) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID103163063
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)C2=CCCC2)C1
InChIInChI=1S/C13H23NO/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12-13H,2-4,6-9,14H2,1H3
InChIKeyYVKJWLJPELQTFD-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
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

(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
CID 177046376
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
Cyclopenten-1-yl(oxan-3-yl)methanamine
CID 63014527
Cyclohepten-1-yl(oxan-3-yl)methanamine
CID 63014880
Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
5,5-Dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 65176858

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine (CID 103163063) is 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)C2=CCCC2)C1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is YVKJWLJPELQTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-15-12-7-10(8-12)9-13(14)11-5-3-4-6-11/h5,10,12-13H,2-4,6-9,14H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 103163063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).