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

C10H17NO — CID 103168893

IUPAC1-(3-ethoxycyclobutyl)but-3-yn-2-amine
SMILESC#CC(N)CC1CC(OCC)C1
InChIInChI=1S/C10H17NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h1,8-10H,4-7,11H2,2H3
InChIKeyPJPMIEWEWCBUCV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.15
Rot. Bonds4

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

1-(3-ethoxycyclobutyl)but-3-yn-2-amine (PubChem CID 103168893) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)but-3-yn-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)but-3-yn-2-amine
PubChem CID103168893
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(3-ethoxycyclobutyl)but-3-yn-2-amine
SMILESC#CC(N)CC1CC(OCC)C1
InChIInChI=1S/C10H17NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h1,8-10H,4-7,11H2,2H3
InChIKeyPJPMIEWEWCBUCV-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)but-3-yn-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)but-3-yn-2-amine (CID 103168893) is 1-(3-ethoxycyclobutyl)but-3-yn-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)but-3-yn-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)but-3-yn-2-amine is C#CC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)but-3-yn-2-amine?
The InChIKey is PJPMIEWEWCBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(11)5-8-6-10(7-8)12-4-2/h1,8-10H,4-7,11H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)but-3-yn-2-amine?
1-(3-ethoxycyclobutyl)but-3-yn-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.15, 4 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-yn-2-amine is sourced from PubChem (CID 103168893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).