1-(3-ethoxycyclobutyl)non-8-en-2-amine

C15H29NO — CID 107011761

IUPAC1-(3-ethoxycyclobutyl)non-8-en-2-amine
SMILESC=CCCCCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13-15H,1,4-12,16H2,2H3
InChIKeyCTJFKCCPDCOVIM-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.66
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)non-8-en-2-amine

1-(3-ethoxycyclobutyl)non-8-en-2-amine (PubChem CID 107011761) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)non-8-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)non-8-en-2-amine
PubChem CID107011761
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3-ethoxycyclobutyl)non-8-en-2-amine
SMILESC=CCCCCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13-15H,1,4-12,16H2,2H3
InChIKeyCTJFKCCPDCOVIM-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.66
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

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)non-8-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)non-8-en-2-amine (CID 107011761) is 1-(3-ethoxycyclobutyl)non-8-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)non-8-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)non-8-en-2-amine is C=CCCCCCC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)non-8-en-2-amine?
The InChIKey is CTJFKCCPDCOVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13-15H,1,4-12,16H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)non-8-en-2-amine?
1-(3-ethoxycyclobutyl)non-8-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)non-8-en-2-amine is sourced from PubChem (CID 107011761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).