1-(3-ethoxycyclobutyl)hex-5-en-2-amine

C12H23NO — CID 103168782

IUPAC1-(3-ethoxycyclobutyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H23NO/c1-3-5-6-11(13)7-10-8-12(9-10)14-4-2/h3,10-12H,1,4-9,13H2,2H3
InChIKeyAVPIGVZHDCOXJR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)hex-5-en-2-amine

1-(3-ethoxycyclobutyl)hex-5-en-2-amine (PubChem CID 103168782) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)hex-5-en-2-amine
PubChem CID103168782
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-ethoxycyclobutyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H23NO/c1-3-5-6-11(13)7-10-8-12(9-10)14-4-2/h3,10-12H,1,4-9,13H2,2H3
InChIKeyAVPIGVZHDCOXJR-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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
(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
CID 177046376
1-(Oxan-3-yl)hex-5-en-1-amine
CID 65332075
1-(Oxan-3-yl)pent-4-en-1-amine
CID 65332349
1-(2-Methyloxolan-2-yl)hex-5-en-1-amine
CID 80174580
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-Ethoxycyclobutyl)-3-methylbutan-2-amine
CID 103168201
1-(3-Ethoxycyclobutyl)pentan-2-amine
CID 103168212
1-(3-Ethoxycyclobutyl)-4-methylpentan-2-amine
CID 103168223
1-(3-ethoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103168310
1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
CID 103168311

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)hex-5-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)hex-5-en-2-amine (CID 103168782) is 1-(3-ethoxycyclobutyl)hex-5-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)hex-5-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)hex-5-en-2-amine is C=CCCC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)hex-5-en-2-amine?
The InChIKey is AVPIGVZHDCOXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-6-11(13)7-10-8-12(9-10)14-4-2/h3,10-12H,1,4-9,13H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)hex-5-en-2-amine?
1-(3-ethoxycyclobutyl)hex-5-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)hex-5-en-2-amine is sourced from PubChem (CID 103168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).