1-(3-ethoxycyclobutyl)hept-6-yn-2-amine

C13H23NO — CID 103169443

IUPAC1-(3-ethoxycyclobutyl)hept-6-yn-2-amine
SMILESC#CCCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C13H23NO/c1-3-5-6-7-12(14)8-11-9-13(10-11)15-4-2/h1,11-13H,4-10,14H2,2H3
InChIKeyXNBRLXZCGALLDY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.32
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine

1-(3-ethoxycyclobutyl)hept-6-yn-2-amine (PubChem CID 103169443) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)hept-6-yn-2-amine
PubChem CID103169443
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(3-ethoxycyclobutyl)hept-6-yn-2-amine
SMILESC#CCCCC(N)CC1CC(OCC)C1
InChIInChI=1S/C13H23NO/c1-3-5-6-7-12(14)8-11-9-13(10-11)15-4-2/h1,11-13H,4-10,14H2,2H3
InChIKeyXNBRLXZCGALLDY-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine (CID 103169443) is 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine is C#CCCCC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine?
The InChIKey is XNBRLXZCGALLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-7-12(14)8-11-9-13(10-11)15-4-2/h1,11-13H,4-10,14H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine?
1-(3-ethoxycyclobutyl)hept-6-yn-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)hept-6-yn-2-amine is sourced from PubChem (CID 103169443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).