2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine

C11H17NO — CID 121451211

IUPAC2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CCC1OCC(=C)C
InChIInChI=1S/C11H17NO/c1-4-7-12-10-5-6-11(10)13-8-9(2)3/h1,10-12H,2,5-8H2,3H3
InChIKeyOITZJVLTESKXJP-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine

2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 121451211) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine
PubChem CID121451211
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CCC1OCC(=C)C
InChIInChI=1S/C11H17NO/c1-4-7-12-10-5-6-11(10)13-8-9(2)3/h1,10-12H,2,5-8H2,3H3
InChIKeyOITZJVLTESKXJP-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylprop-2-enoxy)cyclobutan-1-amine
CID 121451213
N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutanamine
CID 104005635
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104871908
3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 113365387
N-[2-(2-methylprop-2-enoxy)ethyl]pent-1-yn-3-amine
CID 114467142
3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 115903690

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine (CID 121451211) is 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CCC1OCC(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is OITZJVLTESKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-12-10-5-6-11(10)13-8-9(2)3/h1,10-12H,2,5-8H2,3H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine?
2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 121451211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).